3-(5-chloro-2-methylphenyl)-2,6-diphenylpyrimidin-4-one

C23H17ClN2O — CID 13280782

IUPAC3-(5-chloro-2-methylphenyl)-2,6-diphenylpyrimidin-4-one
SMILESCc1ccc(Cl)cc1-n1c(-c2ccccc2)nc(-c2ccccc2)cc1=O
InChIInChI=1S/C23H17ClN2O/c1-16-12-13-19(24)14-21(16)26-22(27)15-20(17-8-4-2-5-9-17)25-23(26)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyGYQKDJYREHAHHE-UHFFFAOYSA-N
MW372.86 g/mol
LogP5.53
Rot. Bonds3

About 3-(5-chloro-2-methylphenyl)-2,6-diphenylpyrimidin-4-one

3-(5-chloro-2-methylphenyl)-2,6-diphenylpyrimidin-4-one (PubChem CID 13280782) has the molecular formula C23H17ClN2O and a molecular weight of 372.86 g/mol. Its IUPAC name is 3-(5-chloro-2-methylphenyl)-2,6-diphenylpyrimidin-4-one.

Molecular Properties

Compound Name3-(5-chloro-2-methylphenyl)-2,6-diphenylpyrimidin-4-one
PubChem CID13280782
Molecular FormulaC23H17ClN2O
Molecular Weight372.86 g/mol
Exact Mass372.10
IUPAC Name3-(5-chloro-2-methylphenyl)-2,6-diphenylpyrimidin-4-one
SMILESCc1ccc(Cl)cc1-n1c(-c2ccccc2)nc(-c2ccccc2)cc1=O
InChIInChI=1S/C23H17ClN2O/c1-16-12-13-19(24)14-21(16)26-22(27)15-20(17-8-4-2-5-9-17)25-23(26)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyGYQKDJYREHAHHE-UHFFFAOYSA-N
XLogP5.53
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.86
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(5-chloro-2-methylphenyl)-2,6-diphenylpyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylphenyl)-2,6-diphenylpyrimidin-4-one?
The IUPAC name of 3-(5-chloro-2-methylphenyl)-2,6-diphenylpyrimidin-4-one (CID 13280782) is 3-(5-chloro-2-methylphenyl)-2,6-diphenylpyrimidin-4-one.
What is the SMILES notation for 3-(5-chloro-2-methylphenyl)-2,6-diphenylpyrimidin-4-one?
The canonical SMILES for 3-(5-chloro-2-methylphenyl)-2,6-diphenylpyrimidin-4-one is Cc1ccc(Cl)cc1-n1c(-c2ccccc2)nc(-c2ccccc2)cc1=O.
What is the InChIKey of 3-(5-chloro-2-methylphenyl)-2,6-diphenylpyrimidin-4-one?
The InChIKey is GYQKDJYREHAHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O/c1-16-12-13-19(24)14-21(16)26-22(27)15-20(17-8-4-2-5-9-17)25-23(26)18-10-6-3-7-11-18/h2-15H,1H3.
What are the key properties of 3-(5-chloro-2-methylphenyl)-2,6-diphenylpyrimidin-4-one?
3-(5-chloro-2-methylphenyl)-2,6-diphenylpyrimidin-4-one has a molecular weight of 372.86 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylphenyl)-2,6-diphenylpyrimidin-4-one is sourced from PubChem (CID 13280782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).