3-(2-chlorophenyl)-2,6-diphenylpyrimidin-4-one

C22H15ClN2O — CID 3021396

IUPAC3-(2-chlorophenyl)-2,6-diphenylpyrimidin-4-one
SMILESO=c1cc(-c2ccccc2)nc(-c2ccccc2)n1-c1ccccc1Cl
InChIInChI=1S/C22H15ClN2O/c23-18-13-7-8-14-20(18)25-21(26)15-19(16-9-3-1-4-10-16)24-22(25)17-11-5-2-6-12-17/h1-15H
InChIKeyCNQJUVWAGKKHCQ-UHFFFAOYSA-N
MW358.83 g/mol
LogP5.22
Rot. Bonds3

About 3-(2-chlorophenyl)-2,6-diphenylpyrimidin-4-one

3-(2-chlorophenyl)-2,6-diphenylpyrimidin-4-one (PubChem CID 3021396) has the molecular formula C22H15ClN2O and a molecular weight of 358.83 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2,6-diphenylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2,6-diphenylpyrimidin-4-one
PubChem CID3021396
Molecular FormulaC22H15ClN2O
Molecular Weight358.83 g/mol
Exact Mass358.09
IUPAC Name3-(2-chlorophenyl)-2,6-diphenylpyrimidin-4-one
SMILESO=c1cc(-c2ccccc2)nc(-c2ccccc2)n1-c1ccccc1Cl
InChIInChI=1S/C22H15ClN2O/c23-18-13-7-8-14-20(18)25-21(26)15-19(16-9-3-1-4-10-16)24-22(25)17-11-5-2-6-12-17/h1-15H
InChIKeyCNQJUVWAGKKHCQ-UHFFFAOYSA-N
XLogP5.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.83
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-chlorophenyl)-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

Related Compounds

3-(2-Chlorophenyl)-2-phenylquinazolin-4-imine;hydrochloride
CID 137642932
1-(2-chlorophenyl)-2,6-dimethyl-5-phenyl-4(1H)-pyrimidinone
CID 828231
5-[(4-Chlorophenyl)methylidene]-3-(4-fluorophenyl)-2-phenylimidazol-4-one
CID 2732485
4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2-phenyl-
CID 3021389
4(3H)-Pyrimidinone, 3-(2,6-dichlorophenyl)-2-phenyl-
CID 3021391
4(3H)-Pyrimidinone, 3-(5-chloro-2-methylphenyl)-2-phenyl-
CID 3021392
4(3H)-Pyrimidinone, 3-(2-fluorophenyl)-6-methyl-2-phenyl-
CID 3021395
4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-6-methyl-2-phenyl-
CID 3021400
4(3H)-Pyrimidinone, 3-(2,6-dichlorophenyl)-2-methyl-6-phenyl-
CID 3071130
4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2-methyl-6-phenyl-
CID 3071177
3-(3-Fluorophenyl)-2,6-diphenylpyrimidin-4(3H)-one
CID 13280774
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2-phenylimidazol-4-one
CID 5702434

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2,6-diphenylpyrimidin-4-one?
The IUPAC name of 3-(2-chlorophenyl)-2,6-diphenylpyrimidin-4-one (CID 3021396) is 3-(2-chlorophenyl)-2,6-diphenylpyrimidin-4-one.
What is the SMILES notation for 3-(2-chlorophenyl)-2,6-diphenylpyrimidin-4-one?
The canonical SMILES for 3-(2-chlorophenyl)-2,6-diphenylpyrimidin-4-one is O=c1cc(-c2ccccc2)nc(-c2ccccc2)n1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-2,6-diphenylpyrimidin-4-one?
The InChIKey is CNQJUVWAGKKHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O/c23-18-13-7-8-14-20(18)25-21(26)15-19(16-9-3-1-4-10-16)24-22(25)17-11-5-2-6-12-17/h1-15H.
What are the key properties of 3-(2-chlorophenyl)-2,6-diphenylpyrimidin-4-one?
3-(2-chlorophenyl)-2,6-diphenylpyrimidin-4-one has a molecular weight of 358.83 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2,6-diphenylpyrimidin-4-one is sourced from PubChem (CID 3021396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).