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Pyrimidines And Derivatives

Aromatic organic compounds that consist of an aromatic six-membered ring containing two non-adjacent nitrogen atoms and four carbon atoms; includes compounds derived from pyrimidines.
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2

5-(Hydroxymethyl)uracil, 98%

CAS: 4433-40-3 Molecular Formula: C5H6N2O3 Molecular Weight (g/mol): 142.11 MDL Number: MFCD00056024 InChI Key: JDBGXEHEIRGOBU-UHFFFAOYSA-N Synonym: 5-hydroxymethyluracil,5-hydroxymethyl uracil,5-hydroxymethyl pyrimidine-2,4 1h,3h-dione,5-oxymethyluracil,4-methyl-5-oxyuracil,uracil, 5-hydroxymethyl,2,4 1h,3h-pyrimidinedione, 5-hydroxymethyl,thymine, alpha-hydroxy,5-hydroxymethyl-2,4 1h,3h-pyrimidinedione PubChem CID: 78168 ChEBI: CHEBI:16964 IUPAC Name: 5-(hydroxymethyl)-1H-pyrimidine-2,4-dione SMILES: OCC1=CNC(=O)NC1=O

PubChem CID 78168
CAS 4433-40-3
Molecular Weight (g/mol) 142.11
ChEBI CHEBI:16964
MDL Number MFCD00056024
SMILES OCC1=CNC(=O)NC1=O
Synonym 5-hydroxymethyluracil,5-hydroxymethyl uracil,5-hydroxymethyl pyrimidine-2,4 1h,3h-dione,5-oxymethyluracil,4-methyl-5-oxyuracil,uracil, 5-hydroxymethyl,2,4 1h,3h-pyrimidinedione, 5-hydroxymethyl,thymine, alpha-hydroxy,5-hydroxymethyl-2,4 1h,3h-pyrimidinedione
IUPAC Name 5-(hydroxymethyl)-1H-pyrimidine-2,4-dione
InChI Key JDBGXEHEIRGOBU-UHFFFAOYSA-N
Molecular Formula C5H6N2O3
3

Ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate, 98%

CAS: 1027511-41-6 Molecular Formula: C9H8BrN3O2 Molecular Weight (g/mol): 270.086 MDL Number: MFCD10574908 InChI Key: PZZTXIWJXOMKEU-UHFFFAOYSA-N Synonym: ethyl 6-bromopyrazolo 1,5-a pyrimidine-3-carboxylate,6-bromo-3-ethoxycarbonyl pyrazolo 1,5-a pyrimidine,6-bromopyrazolo 1,5-a pyrimidine-3-carboxylic acid ethyl ester,pubchem20934,ethyl 6-bromopyrazolo 1,5-a pyrimidine-3-carboxyla,ethyl 6-bromo-pyrazolo 1,5-a pyrimidine-3-carboxylate,ethyl 6-bromopyrazolo 1,5-alpha pyrimidine-3-carboxylate,6-bromo-pyrazolo 1,5-a pyrimidine-3-carboxylic acid ethyl ester PubChem CID: 45073325 IUPAC Name: ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate SMILES: CCOC(=O)C1=C2N=CC(=CN2N=C1)Br

PubChem CID 45073325
CAS 1027511-41-6
Molecular Weight (g/mol) 270.086
MDL Number MFCD10574908
SMILES CCOC(=O)C1=C2N=CC(=CN2N=C1)Br
Synonym ethyl 6-bromopyrazolo 1,5-a pyrimidine-3-carboxylate,6-bromo-3-ethoxycarbonyl pyrazolo 1,5-a pyrimidine,6-bromopyrazolo 1,5-a pyrimidine-3-carboxylic acid ethyl ester,pubchem20934,ethyl 6-bromopyrazolo 1,5-a pyrimidine-3-carboxyla,ethyl 6-bromo-pyrazolo 1,5-a pyrimidine-3-carboxylate,ethyl 6-bromopyrazolo 1,5-alpha pyrimidine-3-carboxylate,6-bromo-pyrazolo 1,5-a pyrimidine-3-carboxylic acid ethyl ester
IUPAC Name ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
InChI Key PZZTXIWJXOMKEU-UHFFFAOYSA-N
Molecular Formula C9H8BrN3O2
4

BEBT-908, MedChemExpress

MedChemExpress BEBT-908 (PI3Kα inhibitor 1) is a selective PI3Kα inhibitor extracted from patent US/20120088764A1, Compound 243, has an IC5050≤1 μM) .

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 507.57
Color Off-White
Physical Form Solid
Chemical Name or Material BEBT-908
Grade Research
SMILES CN(CC1=CC(N=C(C2=CN=C(NC)C=C2)N=C3N4CCOCC4)=C3S1)C5=NC=C(C(NO)=O)C=N5
For Use With (Application) Cancer-Kinase/protease
Percent Purity 99.14%
CAS 1235449-52-1
Solubility Information DMSO : ≥ 37 mg/mL (72.90 mM)
Synonym PI3Kα inhibitor 1
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C23H25N9O3S
Formula Weight 507.57
5

Alfa Aesar™ 2-Hydroxy-4,6-dimethylpyrimidine, 97%

CAS: 108-79-2 Molecular Formula: C6H8N2O Molecular Weight (g/mol): 124.14 MDL Number: MFCD00006072 InChI Key: WHEQVHAIRSPYDK-UHFFFAOYSA-N Synonym: 2-hydroxy-4,6-dimethylpyrimidine,4,6-dimethylpyrimidin-2-ol,4,6-dimethyl-2-hydroxypyrimidine,4,6-dimethylpyrimidin-2 1h-one,2 1h-pyrimidinone, 4,6-dimethyl,unii-hg0cbn4v9f,4,6-dimethyl-2-pyrimidinol,4,6-dimethyl-pyrimidin-2-ol,hg0cbn4v9f,4,6-dimethyl-2-pyrimidone PubChem CID: 9508 IUPAC Name: 4,6-dimethyl-1H-pyrimidin-2-one SMILES: CC1=CC(C)=NC(=O)N1

PubChem CID 9508
CAS 108-79-2
Molecular Weight (g/mol) 124.14
MDL Number MFCD00006072
SMILES CC1=CC(C)=NC(=O)N1
Synonym 2-hydroxy-4,6-dimethylpyrimidine,4,6-dimethylpyrimidin-2-ol,4,6-dimethyl-2-hydroxypyrimidine,4,6-dimethylpyrimidin-2 1h-one,2 1h-pyrimidinone, 4,6-dimethyl,unii-hg0cbn4v9f,4,6-dimethyl-2-pyrimidinol,4,6-dimethyl-pyrimidin-2-ol,hg0cbn4v9f,4,6-dimethyl-2-pyrimidone
IUPAC Name 4,6-dimethyl-1H-pyrimidin-2-one
InChI Key WHEQVHAIRSPYDK-UHFFFAOYSA-N
Molecular Formula C6H8N2O
6

Alfa Aesar™ 2-Mercapto-4,6-dimethylpyrimidine hydrate, 98%

CAS: 22325-27-5 Molecular Formula: C6H8N2S Molecular Weight (g/mol): 140.204 MDL Number: MFCD00006079 InChI Key: RAFAYWADRVMWFA-UHFFFAOYSA-N Synonym: 4,6-dimethyl-2-mercaptopyrimidine,4,6-dimethyl-2 1h-pyrimidinethione,4,6-dimethylpyrimidine-2-thiol,4,6-dimethyl-2-thiopyrimidine,4,6-dimethyl-2-pyrimidinethiol,2-mercapto-4,6-dimethylpyrimidine,2 1h-pyrimidinethione, 4,6-dimethyl,4,6-dimethylpyrimidine-2-thione,4,6-dimethyl-pyrimidine-2-thiol,4,6-dimethyl-2-thiolpyrimidine PubChem CID: 673664 IUPAC Name: 4,6-dimethyl-1H-pyrimidine-2-thione SMILES: CC1=CC(=NC(=S)N1)C

PubChem CID 673664
CAS 22325-27-5
Molecular Weight (g/mol) 140.204
MDL Number MFCD00006079
SMILES CC1=CC(=NC(=S)N1)C
Synonym 4,6-dimethyl-2-mercaptopyrimidine,4,6-dimethyl-2 1h-pyrimidinethione,4,6-dimethylpyrimidine-2-thiol,4,6-dimethyl-2-thiopyrimidine,4,6-dimethyl-2-pyrimidinethiol,2-mercapto-4,6-dimethylpyrimidine,2 1h-pyrimidinethione, 4,6-dimethyl,4,6-dimethylpyrimidine-2-thione,4,6-dimethyl-pyrimidine-2-thiol,4,6-dimethyl-2-thiolpyrimidine
IUPAC Name 4,6-dimethyl-1H-pyrimidine-2-thione
InChI Key RAFAYWADRVMWFA-UHFFFAOYSA-N
Molecular Formula C6H8N2S
7

Alfa Aesar™ 2-Amino-4-(4-methylphenyl)pyrimidine, 96%

CAS: 263276-44-4 Molecular Formula: C11H11N3 Molecular Weight (g/mol): 185.23 MDL Number: MFCD00665911 InChI Key: SEAVIOKUWQLSPU-UHFFFAOYSA-N Synonym: 2-amino-4-4-methylphenyl pyrimidine,2-amino-4-p-tolyl pyrimidine,4-p-tolyl pyrimidin-2-amine,4-4-methylphenyl pyrimidin-2-amine,4-4-methylphenyl pyrimidine-2-ylamine,acmc-20ao56,2-pyrimidinamine, 4-4-methylphenyl PubChem CID: 2735370 IUPAC Name: 4-(4-methylphenyl)pyrimidin-2-amine SMILES: CC1=CC=C(C=C1)C2=NC(=NC=C2)N

PubChem CID 2735370
CAS 263276-44-4
Molecular Weight (g/mol) 185.23
MDL Number MFCD00665911
SMILES CC1=CC=C(C=C1)C2=NC(=NC=C2)N
Synonym 2-amino-4-4-methylphenyl pyrimidine,2-amino-4-p-tolyl pyrimidine,4-p-tolyl pyrimidin-2-amine,4-4-methylphenyl pyrimidin-2-amine,4-4-methylphenyl pyrimidine-2-ylamine,acmc-20ao56,2-pyrimidinamine, 4-4-methylphenyl
IUPAC Name 4-(4-methylphenyl)pyrimidin-2-amine
InChI Key SEAVIOKUWQLSPU-UHFFFAOYSA-N
Molecular Formula C11H11N3
8

Alfa Aesar™ Methyl orotate, 97%

CAS: 6153-44-2 Molecular Formula: C6H6N2O4 Molecular Weight (g/mol): 170.12 MDL Number: MFCD00010564 InChI Key: UUTDWTOZAWFKFW-UHFFFAOYSA-N Synonym: methyl orotate,orotic acid methyl ester,methyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate,unii-41c6ifg4mq,4-pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, methyl ester,6-carbomethyoxyuracil,41c6ifg4mq,methyl 2,6-dihydroxypyrimidine-4-carboxylate,methyl 2,6-dihydroxy-4-pyrimidinecarboxylate,methyl 2,6-dioxo-1,3-dihydropyrimidine-4-carboxylate PubChem CID: 80257 IUPAC Name: methyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate SMILES: COC(=O)C1=CC(=O)NC(=O)N1

PubChem CID 80257
CAS 6153-44-2
Molecular Weight (g/mol) 170.12
MDL Number MFCD00010564
SMILES COC(=O)C1=CC(=O)NC(=O)N1
Synonym methyl orotate,orotic acid methyl ester,methyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate,unii-41c6ifg4mq,4-pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, methyl ester,6-carbomethyoxyuracil,41c6ifg4mq,methyl 2,6-dihydroxypyrimidine-4-carboxylate,methyl 2,6-dihydroxy-4-pyrimidinecarboxylate,methyl 2,6-dioxo-1,3-dihydropyrimidine-4-carboxylate
IUPAC Name methyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
InChI Key UUTDWTOZAWFKFW-UHFFFAOYSA-N
Molecular Formula C6H6N2O4
9

Alfa Aesar™ 4-Amino-6-chloro-2-(methylthio)pyrimidine, 98%

CAS: 1005-38-5 Molecular Formula: C5H6ClN3S Molecular Weight (g/mol): 175.634 MDL Number: MFCD00006088 InChI Key: ISUXMAHVLFRZQU-UHFFFAOYSA-N Synonym: 4-amino-6-chloro-2-methylthio pyrimidine,4-amino-6-chloro-2-methylmercaptopyrimidine,4-pyrimidinamine, 6-chloro-2-methylthio,6-chloro-2-methylsulfanyl pyrimidin-4-amine,6-chloro-2-methylthio pyrimidin-4-amine,pyrimidine, 4-amino-6-chloro-2-methylthio,4-amino-6-chloro-2-methylthiopyrimidine,6-chloro-2-methylthiopyrimidin-4-ylamine,6-amino-4-chloro-2-methylmercaptopyrimidine,6-chloro-2-methylsulfanyl-pyrimidin-4-amine PubChem CID: 70496 IUPAC Name: 6-chloro-2-methylsulfanylpyrimidin-4-amine SMILES: CSC1=NC(=CC(=N1)Cl)N

PubChem CID 70496
CAS 1005-38-5
Molecular Weight (g/mol) 175.634
MDL Number MFCD00006088
SMILES CSC1=NC(=CC(=N1)Cl)N
Synonym 4-amino-6-chloro-2-methylthio pyrimidine,4-amino-6-chloro-2-methylmercaptopyrimidine,4-pyrimidinamine, 6-chloro-2-methylthio,6-chloro-2-methylsulfanyl pyrimidin-4-amine,6-chloro-2-methylthio pyrimidin-4-amine,pyrimidine, 4-amino-6-chloro-2-methylthio,4-amino-6-chloro-2-methylthiopyrimidine,6-chloro-2-methylthiopyrimidin-4-ylamine,6-amino-4-chloro-2-methylmercaptopyrimidine,6-chloro-2-methylsulfanyl-pyrimidin-4-amine
IUPAC Name 6-chloro-2-methylsulfanylpyrimidin-4-amine
InChI Key ISUXMAHVLFRZQU-UHFFFAOYSA-N
Molecular Formula C5H6ClN3S
10

Alfa Aesar™ 4-Chloro-6-methoxymethyl-2-phenylpyrimidine

CAS: 325685-59-4 Molecular Formula: C12H11ClN2O Molecular Weight (g/mol): 234.68 MDL Number: MFCD00794769 InChI Key: GSSSCZAOXFZADM-UHFFFAOYSA-N Synonym: 4-chloro-6-methoxymethyl-2-phenylpyrimidine,6-chloro-2-phenyl-4-pyrimidinyl methyl methyl ether,acmc-20aml2,chlorophenylpyrimidinylmethylmethylether,6-chloro-2-phenylpyrimidin-4-yl methoxymethane,pyrimidine,4-chloro-6-methoxymethyl-2-phenyl,6-chloro-2-phenyl-4-pyrimidinyl methylmethyl ether PubChem CID: 2763927 IUPAC Name: 4-chloro-6-(methoxymethyl)-2-phenylpyrimidine SMILES: COCC1=CC(Cl)=NC(=N1)C1=CC=CC=C1

PubChem CID 2763927
CAS 325685-59-4
Molecular Weight (g/mol) 234.68
MDL Number MFCD00794769
SMILES COCC1=CC(Cl)=NC(=N1)C1=CC=CC=C1
Synonym 4-chloro-6-methoxymethyl-2-phenylpyrimidine,6-chloro-2-phenyl-4-pyrimidinyl methyl methyl ether,acmc-20aml2,chlorophenylpyrimidinylmethylmethylether,6-chloro-2-phenylpyrimidin-4-yl methoxymethane,pyrimidine,4-chloro-6-methoxymethyl-2-phenyl,6-chloro-2-phenyl-4-pyrimidinyl methylmethyl ether
IUPAC Name 4-chloro-6-(methoxymethyl)-2-phenylpyrimidine
InChI Key GSSSCZAOXFZADM-UHFFFAOYSA-N
Molecular Formula C12H11ClN2O
11

Alfa Aesar™ 2-Benzylamino-4-benzyloxy-5-bromopyrimidine, 95%, Thermo Scientific™

CAS: 885952-25-0 Molecular Formula: C18H16BrN3O Molecular Weight (g/mol): 370.25 MDL Number: MFCD06798242 InChI Key: OWAQGZVVTHQXOM-UHFFFAOYSA-N Synonym: n-benzyl-4-benzyloxy-5-bromopyrimidin-2-amine,2-benzylamino-4-benzyloxy-5-bromopyrimidine,n-benzyl-4-benzyloxy-5-bromo-2-pyrimidinamine,2-pyrimidinamine,5-bromo-4-phenylmethoxy-n-phenylmethyl PubChem CID: 42553027 SMILES: BrC1=CN=C(NCC2=CC=CC=C2)N=C1OCC1=CC=CC=C1

PubChem CID 42553027
CAS 885952-25-0
Molecular Weight (g/mol) 370.25
MDL Number MFCD06798242
SMILES BrC1=CN=C(NCC2=CC=CC=C2)N=C1OCC1=CC=CC=C1
Synonym n-benzyl-4-benzyloxy-5-bromopyrimidin-2-amine,2-benzylamino-4-benzyloxy-5-bromopyrimidine,n-benzyl-4-benzyloxy-5-bromo-2-pyrimidinamine,2-pyrimidinamine,5-bromo-4-phenylmethoxy-n-phenylmethyl
InChI Key OWAQGZVVTHQXOM-UHFFFAOYSA-N
Molecular Formula C18H16BrN3O
12

Thermo Scientific Alfa Aesar 2,4-Diamino-6-chloropyrimidine, 98%, Thermo Scientific™

CAS: 156-83-2 Molecular Formula: C4H5ClN4 Molecular Weight (g/mol): 144.562 MDL Number: MFCD00006097 InChI Key: QJIUMVUZDYPQRT-UHFFFAOYSA-N Synonym: 4-chloro-2,6-diaminopyrimidine,2,4-diamino-6-chloropyrimidine,2,6-diamino-4-chloropyrimidine,6-chloro-2,4-diaminopyrimidine,6-chloro-pyrimidine-2,4-diamine,2,4-pyrimidinediamine, 6-chloro,4-chloro-2,6-diamino pyrimidine,2-amino-6-chloro-4-pyrimidinylamine,caap,minoxidil impurity b PubChem CID: 67432 IUPAC Name: 6-chloropyrimidine-2,4-diamine SMILES: C1=C(N=C(N=C1Cl)N)N

PubChem CID 67432
CAS 156-83-2
Molecular Weight (g/mol) 144.562
MDL Number MFCD00006097
SMILES C1=C(N=C(N=C1Cl)N)N
Synonym 4-chloro-2,6-diaminopyrimidine,2,4-diamino-6-chloropyrimidine,2,6-diamino-4-chloropyrimidine,6-chloro-2,4-diaminopyrimidine,6-chloro-pyrimidine-2,4-diamine,2,4-pyrimidinediamine, 6-chloro,4-chloro-2,6-diamino pyrimidine,2-amino-6-chloro-4-pyrimidinylamine,caap,minoxidil impurity b
IUPAC Name 6-chloropyrimidine-2,4-diamine
InChI Key QJIUMVUZDYPQRT-UHFFFAOYSA-N
Molecular Formula C4H5ClN4