2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one

C23H23N5O — CID 135882011

IUPAC2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
SMILESCc1ccc2c(C)nc(Nc3nc(C)c(Cc4ccccc4C)c(=O)[nH]3)nc2c1
InChIInChI=1S/C23H23N5O/c1-13-9-10-18-15(3)24-22(26-20(18)11-13)28-23-25-16(4)19(21(29)27-23)12-17-8-6-5-7-14(17)2/h5-11H,12H2,1-4H3,(H2,24,25,26,27,28,29)
InChIKeyKDEFCGLOCXGHRP-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.28
Rot. Bonds4

About 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one

2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 135882011) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
PubChem CID135882011
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
SMILESCc1ccc2c(C)nc(Nc3nc(C)c(Cc4ccccc4C)c(=O)[nH]3)nc2c1
InChIInChI=1S/C23H23N5O/c1-13-9-10-18-15(3)24-22(26-20(18)11-13)28-23-25-16(4)19(21(29)27-23)12-17-8-6-5-7-14(17)2/h5-11H,12H2,1-4H3,(H2,24,25,26,27,28,29)
InChIKeyKDEFCGLOCXGHRP-UHFFFAOYSA-N
XLogP4.28
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-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

2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 135882008
5-[(2-chlorophenyl)methyl]-4-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135727198
5-[(3-chlorophenyl)methyl]-2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135882001
ethyl 3-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate
CID 135659118
5-butyl-2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135602395
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-5-pentyl-1H-pyrimidin-6-one
CID 135422835
4-methyl-5-prop-2-enyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135602400
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-(2-phenylethyl)-1H-pyrimidin-6-one
CID 135882024
ethyl 3-[2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate
CID 135659120
5-ethyl-4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135762344
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-fluorophenyl)-1H-pyrimidin-6-one
CID 135645108
5-butyl-4-hydroxy-2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 39739866

Frequently Asked Questions

What is the IUPAC name of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one (CID 135882011) is 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one is Cc1ccc2c(C)nc(Nc3nc(C)c(Cc4ccccc4C)c(=O)[nH]3)nc2c1.
What is the InChIKey of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is KDEFCGLOCXGHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-13-9-10-18-15(3)24-22(26-20(18)11-13)28-23-25-16(4)19(21(29)27-23)12-17-8-6-5-7-14(17)2/h5-11H,12H2,1-4H3,(H2,24,25,26,27,28,29).
What are the key properties of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one?
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 385.47 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135882011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).