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

C17H13ClN2O — CID 136764407

IUPAC2-(2-chlorophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccccc2)nc(-c2ccccc2Cl)[nH]c1=O
InChIInChI=1S/C17H13ClN2O/c1-11-15(12-7-3-2-4-8-12)19-16(20-17(11)21)13-9-5-6-10-14(13)18/h2-10H,1H3,(H,19,20,21)
InChIKeyHMFDAUZTKKLMAI-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.07
Rot. Bonds2

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

2-(2-chlorophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136764407) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
PubChem CID136764407
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name2-(2-chlorophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccccc2)nc(-c2ccccc2Cl)[nH]c1=O
InChIInChI=1S/C17H13ClN2O/c1-11-15(12-7-3-2-4-8-12)19-16(20-17(11)21)13-9-5-6-10-14(13)18/h2-10H,1H3,(H,19,20,21)
InChIKeyHMFDAUZTKKLMAI-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

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Related Compounds

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
4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one
CID 135453967
2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764381
2-(3-aminophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764468
5-methyl-2-(5-methylfuran-2-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136764434
5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one
CID 137000220
2-(2-chlorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868492
2-(2-chlorophenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28868511
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
5-methyl-2,4-dipyridin-4-yl-1H-pyrimidin-6-one
CID 135581354

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-chlorophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one (CID 136764407) is 2-(2-chlorophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-chlorophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-chlorophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one is Cc1c(-c2ccccc2)nc(-c2ccccc2Cl)[nH]c1=O.
What is the InChIKey of 2-(2-chlorophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is HMFDAUZTKKLMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-11-15(12-7-3-2-4-8-12)19-16(20-17(11)21)13-9-5-6-10-14(13)18/h2-10H,1H3,(H,19,20,21).
What are the key properties of 2-(2-chlorophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one?
2-(2-chlorophenyl)-5-methyl-4-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 2-(2-chlorophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136764407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).