2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one

C24H25N5O — CID 135882008

IUPAC2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
SMILESCCc1ccc2nc(Nc3nc(C)c(Cc4ccccc4C)c(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C24H25N5O/c1-5-17-10-11-21-19(12-17)15(3)25-23(27-21)29-24-26-16(4)20(22(30)28-24)13-18-9-7-6-8-14(18)2/h6-12H,5,13H2,1-4H3,(H2,25,26,27,28,29,30)
InChIKeyVUQNRSFUIHJBTQ-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.54
Rot. Bonds5

About 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one

2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 135882008) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
PubChem CID135882008
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
SMILESCCc1ccc2nc(Nc3nc(C)c(Cc4ccccc4C)c(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C24H25N5O/c1-5-17-10-11-21-19(12-17)15(3)25-23(27-21)29-24-26-16(4)20(22(30)28-24)13-18-9-7-6-8-14(18)2/h6-12H,5,13H2,1-4H3,(H2,25,26,27,28,29,30)
InChIKeyVUQNRSFUIHJBTQ-UHFFFAOYSA-N
XLogP4.54
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(6-ethyl-4-methylquinazolin-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-phenylethyl)-1H-pyrimidin-6-one
CID 135882024
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 135882011
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135455921
5-[(2-chlorophenyl)methyl]-4-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135727198
5-butyl-2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135602395
5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135659146
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-5-pentyl-1H-pyrimidin-6-one
CID 135422835
5-ethyl-4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135762344
[4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]quinazolin-6-yl]carbamic acid
CID 155436367
5-[(3-chlorophenyl)methyl]-2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135882001
5-benzyl-2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135602403
ethyl 3-[2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate
CID 135659120

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one (CID 135882008) is 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one is CCc1ccc2nc(Nc3nc(C)c(Cc4ccccc4C)c(=O)[nH]3)nc(C)c2c1.
What is the InChIKey of 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is VUQNRSFUIHJBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-5-17-10-11-21-19(12-17)15(3)25-23(27-21)29-24-26-16(4)20(22(30)28-24)13-18-9-7-6-8-14(18)2/h6-12H,5,13H2,1-4H3,(H2,25,26,27,28,29,30).
What are the key properties of 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one?
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 399.50 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135882008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).