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

C16H11ClN2O — CID 3021389

IUPAC3-(2-chlorophenyl)-2-phenylpyrimidin-4-one
SMILESO=c1ccnc(-c2ccccc2)n1-c1ccccc1Cl
InChIInChI=1S/C16H11ClN2O/c17-13-8-4-5-9-14(13)19-15(20)10-11-18-16(19)12-6-2-1-3-7-12/h1-11H
InChIKeyJGSSFNWRVIIELL-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.55
Rot. Bonds2

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

3-(2-chlorophenyl)-2-phenylpyrimidin-4-one (PubChem CID 3021389) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-phenylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-phenylpyrimidin-4-one
PubChem CID3021389
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name3-(2-chlorophenyl)-2-phenylpyrimidin-4-one
SMILESO=c1ccnc(-c2ccccc2)n1-c1ccccc1Cl
InChIInChI=1S/C16H11ClN2O/c17-13-8-4-5-9-14(13)19-15(20)10-11-18-16(19)12-6-2-1-3-7-12/h1-11H
InChIKeyJGSSFNWRVIIELL-UHFFFAOYSA-N
XLogP3.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-chloro-3-methyl-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-1-one
CID 12569585
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
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
CID 12569565
4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2-((phenylmethyl)thio)-
CID 3021386
4(3H)-Pyrimidinone, 3-(2-fluorophenyl)-2-phenyl-
CID 3021388
4(3H)-Pyrimidinone, 3-(2-methylphenyl)-2-phenyl-
CID 3021390
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, 2-phenyl-3-(3-(trifluoromethyl)phenyl)-
CID 3021393
4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2,6-diphenyl-
CID 3021396
4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-6-methyl-2-phenyl-
CID 3021400

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-phenylpyrimidin-4-one?
The IUPAC name of 3-(2-chlorophenyl)-2-phenylpyrimidin-4-one (CID 3021389) is 3-(2-chlorophenyl)-2-phenylpyrimidin-4-one.
What is the SMILES notation for 3-(2-chlorophenyl)-2-phenylpyrimidin-4-one?
The canonical SMILES for 3-(2-chlorophenyl)-2-phenylpyrimidin-4-one is O=c1ccnc(-c2ccccc2)n1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-2-phenylpyrimidin-4-one?
The InChIKey is JGSSFNWRVIIELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-13-8-4-5-9-14(13)19-15(20)10-11-18-16(19)12-6-2-1-3-7-12/h1-11H.
What are the key properties of 3-(2-chlorophenyl)-2-phenylpyrimidin-4-one?
3-(2-chlorophenyl)-2-phenylpyrimidin-4-one has a molecular weight of 282.73 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-phenylpyrimidin-4-one is sourced from PubChem (CID 3021389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).