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

C20H17N5O — CID 135426178

IUPAC7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one
SMILESCc1ccc2c(=O)[nH]c(Nc3nc(C)cc(-c4ccccc4)n3)nc2c1
InChIInChI=1S/C20H17N5O/c1-12-8-9-15-17(10-12)23-20(24-18(15)26)25-19-21-13(2)11-16(22-19)14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,21,22,23,24,25,26)
InChIKeyWCARDDDMQORATQ-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.74
Rot. Bonds3

About 7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one

7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one (PubChem CID 135426178) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one
PubChem CID135426178
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one
SMILESCc1ccc2c(=O)[nH]c(Nc3nc(C)cc(-c4ccccc4)n3)nc2c1
InChIInChI=1S/C20H17N5O/c1-12-8-9-15-17(10-12)23-20(24-18(15)26)25-19-21-13(2)11-16(22-19)14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,21,22,23,24,25,26)
InChIKeyWCARDDDMQORATQ-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

Analyze 7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Fatty acids, C16-18, sulfo, 1-Me esters, sodium salts
CID 53346507
Bms-833923
CID 57662985
Luf-5735
CID 11392960
N-(4,6-diphenylpyrimidin-2-yl)benzamide
CID 11314132
Pentanoic acid (4,6-diphenylpyrimidin-2-yl)amide
CID 11450364
N-(2,6-diphenylpyrimidin-4-yl)benzamide
CID 11245073
4-Methyl-n-phenyl-3-((3-(4-pyrimidinyl)-2-pyridinyl)amino)benzamide
CID 11617856
2-Acetylaminoquinazoline-4-carboxyanilide
CID 24749707
2-Benzoylaminoquinazoline-4-carboxyanilide
CID 24749708
2-[4-(2-Aminoquinazolin-4-Yl)phenyl]-N,N-Dimethyl-Acetamide
CID 118704901
1-[3-(2,4-Diaminoquinazolin-7-yl)phenyl]ethanone
CID 56659280
2-[(4,6-Dimethyl-2-quinazolinyl)amino]-4(1H)-quinazolinone
CID 135452104

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one?
The IUPAC name of 7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one (CID 135426178) is 7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one is Cc1ccc2c(=O)[nH]c(Nc3nc(C)cc(-c4ccccc4)n3)nc2c1.
What is the InChIKey of 7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one?
The InChIKey is WCARDDDMQORATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-12-8-9-15-17(10-12)23-20(24-18(15)26)25-19-21-13(2)11-16(22-19)14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,21,22,23,24,25,26).
What are the key properties of 7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one?
7-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 7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 135426178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).