3-(5-chloro-2-methylphenyl)-2-phenylpyrimidin-4-one

C17H13ClN2O — CID 3021392

IUPAC3-(5-chloro-2-methylphenyl)-2-phenylpyrimidin-4-one
SMILESCc1ccc(Cl)cc1-n1c(-c2ccccc2)nccc1=O
InChIInChI=1S/C17H13ClN2O/c1-12-7-8-14(18)11-15(12)20-16(21)9-10-19-17(20)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyGOTSODROYXXSOJ-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.86
Rot. Bonds2

About 3-(5-chloro-2-methylphenyl)-2-phenylpyrimidin-4-one

3-(5-chloro-2-methylphenyl)-2-phenylpyrimidin-4-one (PubChem CID 3021392) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 3-(5-chloro-2-methylphenyl)-2-phenylpyrimidin-4-one.

Molecular Properties

Compound Name3-(5-chloro-2-methylphenyl)-2-phenylpyrimidin-4-one
PubChem CID3021392
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name3-(5-chloro-2-methylphenyl)-2-phenylpyrimidin-4-one
SMILESCc1ccc(Cl)cc1-n1c(-c2ccccc2)nccc1=O
InChIInChI=1S/C17H13ClN2O/c1-12-7-8-14(18)11-15(12)20-16(21)9-10-19-17(20)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyGOTSODROYXXSOJ-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

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7-Chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one
CID 166627659
2-(5-Chloro-2-methylanilino)-5-fluoro-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134291407
7-Chloro-4-(cyclopropylmethylamino)-1-(3-fluorophenyl)hydroquinazolin-2-one
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4-(Dimethylamino)-7-chloro-1-(4-fluorophenyl)-hydroquinazolin-2-one
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4-[(2,2-Difluoroethyl)methylamino]-7-chloro-1-phenylhydroquinazolin-2-one
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CID 63291

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylphenyl)-2-phenylpyrimidin-4-one?
The IUPAC name of 3-(5-chloro-2-methylphenyl)-2-phenylpyrimidin-4-one (CID 3021392) is 3-(5-chloro-2-methylphenyl)-2-phenylpyrimidin-4-one.
What is the SMILES notation for 3-(5-chloro-2-methylphenyl)-2-phenylpyrimidin-4-one?
The canonical SMILES for 3-(5-chloro-2-methylphenyl)-2-phenylpyrimidin-4-one is Cc1ccc(Cl)cc1-n1c(-c2ccccc2)nccc1=O.
What is the InChIKey of 3-(5-chloro-2-methylphenyl)-2-phenylpyrimidin-4-one?
The InChIKey is GOTSODROYXXSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-12-7-8-14(18)11-15(12)20-16(21)9-10-19-17(20)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 3-(5-chloro-2-methylphenyl)-2-phenylpyrimidin-4-one?
3-(5-chloro-2-methylphenyl)-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-(5-chloro-2-methylphenyl)-2-phenylpyrimidin-4-one is sourced from PubChem (CID 3021392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).