2-(3-chlorophenyl)-3,5,6-trimethylpyrimidin-4-one

C13H13ClN2O — CID 123522555

IUPAC2-(3-chlorophenyl)-3,5,6-trimethylpyrimidin-4-one
SMILESCc1nc(-c2cccc(Cl)c2)n(C)c(=O)c1C
InChIInChI=1S/C13H13ClN2O/c1-8-9(2)15-12(16(3)13(8)17)10-5-4-6-11(14)7-10/h4-7H,1-3H3
InChIKeyQWQLEUMNAIRTQO-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.72
Rot. Bonds1

About 2-(3-chlorophenyl)-3,5,6-trimethylpyrimidin-4-one

2-(3-chlorophenyl)-3,5,6-trimethylpyrimidin-4-one (PubChem CID 123522555) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3,5,6-trimethylpyrimidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3,5,6-trimethylpyrimidin-4-one
PubChem CID123522555
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name2-(3-chlorophenyl)-3,5,6-trimethylpyrimidin-4-one
SMILESCc1nc(-c2cccc(Cl)c2)n(C)c(=O)c1C
InChIInChI=1S/C13H13ClN2O/c1-8-9(2)15-12(16(3)13(8)17)10-5-4-6-11(14)7-10/h4-7H,1-3H3
InChIKeyQWQLEUMNAIRTQO-UHFFFAOYSA-N
XLogP2.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 784601
4-(3-chlorophenyl)-1,3-dimethylquinolin-2-one
CID 22058094
2-(3-chlorophenyl)-3-methyl-6-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]quinazolin-4-one
CID 90463887
4-[amino(benzyl)amino]-6-(3-chlorophenyl)-1-methyl-1,3,5-triazin-2-one
CID 70532843
2-(3-chlorophenyl)-1-methylimidazole
CID 57277272
3-(3-chlorophenyl)-4-methyl-1,2,4-triazole
CID 79002375
6-[4-(3-chlorophenyl)-2-methylimidazol-1-yl]-1-methylpyridin-2-one
CID 70804764
[2-(3-chlorophenyl)-3-methylbenzimidazol-5-yl]methanamine
CID 104713110
7-chloro-3-(3-chlorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine
CID 82274522
5-(3-chlorophenyl)-8-ethyl-7-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 95923512
2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 55045730
[2-(3-chlorophenyl)-1-methylimidazol-4-yl]methanamine
CID 82286802

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3,5,6-trimethylpyrimidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-3,5,6-trimethylpyrimidin-4-one (CID 123522555) is 2-(3-chlorophenyl)-3,5,6-trimethylpyrimidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3,5,6-trimethylpyrimidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-3,5,6-trimethylpyrimidin-4-one is Cc1nc(-c2cccc(Cl)c2)n(C)c(=O)c1C.
What is the InChIKey of 2-(3-chlorophenyl)-3,5,6-trimethylpyrimidin-4-one?
The InChIKey is QWQLEUMNAIRTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-8-9(2)15-12(16(3)13(8)17)10-5-4-6-11(14)7-10/h4-7H,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-3,5,6-trimethylpyrimidin-4-one?
2-(3-chlorophenyl)-3,5,6-trimethylpyrimidin-4-one has a molecular weight of 248.71 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3,5,6-trimethylpyrimidin-4-one is sourced from PubChem (CID 123522555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).