3-(2-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-one

C17H13ClN2O — CID 3021400

IUPAC3-(2-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-one
SMILESCc1cc(=O)n(-c2ccccc2Cl)c(-c2ccccc2)n1
InChIInChI=1S/C17H13ClN2O/c1-12-11-16(21)20(15-10-6-5-9-14(15)18)17(19-12)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyLVASGIYRKHXOAA-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.86
Rot. Bonds2

About 3-(2-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-one

3-(2-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-one (PubChem CID 3021400) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-one
PubChem CID3021400
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name3-(2-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-one
SMILESCc1cc(=O)n(-c2ccccc2Cl)c(-c2ccccc2)n1
InChIInChI=1S/C17H13ClN2O/c1-12-11-16(21)20(15-10-6-5-9-14(15)18)17(19-12)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyLVASGIYRKHXOAA-UHFFFAOYSA-N
XLogP3.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Mecloqualone
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Cloroqualone
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CID 828231
2-Methyl-1,6-diphenylhydropyrimidin-4-one
CID 2303894
5-[(4-Chlorophenyl)methylidene]-3-(4-fluorophenyl)-2-phenylimidazol-4-one
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5-Chloro-14-methyl-8-phenyl-1,9,13-triazatricyclo[10.4.0.02,7]hexadeca-2(7),3,5,8,12,14-hexaen-16-one
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5-Chloro-16-methyl-8-phenyl-1,9,13-triazatricyclo[10.4.0.02,7]hexadeca-2(7),3,5,8,12,15-hexaen-14-one
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-one?
The IUPAC name of 3-(2-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-one (CID 3021400) is 3-(2-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-one.
What is the SMILES notation for 3-(2-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-one?
The canonical SMILES for 3-(2-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-one is Cc1cc(=O)n(-c2ccccc2Cl)c(-c2ccccc2)n1.
What is the InChIKey of 3-(2-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-one?
The InChIKey is LVASGIYRKHXOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-12-11-16(21)20(15-10-6-5-9-14(15)18)17(19-12)13-7-3-2-4-8-13/h2-11H,1H3.
What are the key properties of 3-(2-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-one?
3-(2-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-one has a molecular weight of 296.76 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-one is sourced from PubChem (CID 3021400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).