4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one

C17H13ClN2O — CID 135453967

IUPAC4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one
SMILESCc1c(-c2cccc(Cl)c2)nc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C17H13ClN2O/c1-11-15(13-8-5-9-14(18)10-13)19-16(20-17(11)21)12-6-3-2-4-7-12/h2-10H,1H3,(H,19,20,21)
InChIKeyPOMKEKJNIBABAW-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.07
Rot. Bonds2

About 4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one

4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one (PubChem CID 135453967) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one
PubChem CID135453967
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one
SMILESCc1c(-c2cccc(Cl)c2)nc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C17H13ClN2O/c1-11-15(13-8-5-9-14(18)10-13)19-16(20-17(11)21)12-6-3-2-4-7-12/h2-10H,1H3,(H,19,20,21)
InChIKeyPOMKEKJNIBABAW-UHFFFAOYSA-N
XLogP4.07
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-chlorophenyl)-5-methyl-2-phenyl-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

4-(3-chlorophenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136692221
5-methyl-2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135753934
5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136764386
2-(3-aminophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764468
2-(2-chlorophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764407
5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one
CID 79431425
methyl 4-(3-chlorophenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 156703620
5-methyl-2,4-dipyridin-4-yl-1H-pyrimidin-6-one
CID 135581354
methyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate
CID 137316253
methyl 4-(5-methyl-6-oxo-2-phenyl-1H-pyrimidin-4-yl)benzoate
CID 137316255
4-(3-chlorophenyl)-5-phenyl-2-[3-(2-phenylethynyl)phenyl]-1H-imidazole
CID 42536097
5-methyl-2-(5-methylfuran-2-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136764434

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one (CID 135453967) is 4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one is Cc1c(-c2cccc(Cl)c2)nc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one?
The InChIKey is POMKEKJNIBABAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-11-15(13-8-5-9-14(18)10-13)19-16(20-17(11)21)12-6-3-2-4-7-12/h2-10H,1H3,(H,19,20,21).
What are the key properties of 4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one?
4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one has a molecular weight of 296.76 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135453967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).