8-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one

C20H17N5O — CID 135456915

IUPAC8-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one
SMILESCc1cc(-c2ccccc2)nc(Nc2nc3c(C)cccc3c(=O)[nH]2)n1
InChIInChI=1S/C20H17N5O/c1-12-7-6-10-15-17(12)23-20(24-18(15)26)25-19-21-13(2)11-16(22-19)14-8-4-3-5-9-14/h3-11H,1-2H3,(H2,21,22,23,24,25,26)
InChIKeyIGONMWIZMCDFQL-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.74
Rot. Bonds3

About 8-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one

8-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one (PubChem CID 135456915) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 8-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one
PubChem CID135456915
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name8-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one
SMILESCc1cc(-c2ccccc2)nc(Nc2nc3c(C)cccc3c(=O)[nH]2)n1
InChIInChI=1S/C20H17N5O/c1-12-7-6-10-15-17(12)23-20(24-18(15)26)25-19-21-13(2)11-16(22-19)14-8-4-3-5-9-14/h3-11H,1-2H3,(H2,21,22,23,24,25,26)
InChIKeyIGONMWIZMCDFQL-UHFFFAOYSA-N
XLogP3.74
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one
CID 135553794
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one
CID 135440093
N-(4-methyl-6-phenylpyrimidin-2-yl)-6-nitro-1H-benzimidazol-2-amine
CID 51059485
2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
CID 135467306
4-(2-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135645110
[4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]quinazolin-6-yl]carbamic acid
CID 155436367
2-[(6-bromo-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 155453165
2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
CID 135645257
2-(3,5-dimethylanilino)-3H-quinazolin-4-one
CID 135439663
N-benzyl-4-methyl-6-phenylpyrimidin-2-amine
CID 13126867
2-cyclopropyl-8-methyl-3H-quinazolin-4-one
CID 137201441
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135455921

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one?
The IUPAC name of 8-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one (CID 135456915) is 8-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 8-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 8-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one is Cc1cc(-c2ccccc2)nc(Nc2nc3c(C)cccc3c(=O)[nH]2)n1.
What is the InChIKey of 8-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one?
The InChIKey is IGONMWIZMCDFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-12-7-6-10-15-17(12)23-20(24-18(15)26)25-19-21-13(2)11-16(22-19)14-8-4-3-5-9-14/h3-11H,1-2H3,(H2,21,22,23,24,25,26).
What are the key properties of 8-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one?
8-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one has a molecular weight of 343.39 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 135456915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).