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

C12H11ClN2O — CID 13268369

IUPAC3-(5-chloro-2-methylphenyl)-2-methylpyrimidin-4-one
SMILESCc1ccc(Cl)cc1-n1c(C)nccc1=O
InChIInChI=1S/C12H11ClN2O/c1-8-3-4-10(13)7-11(8)15-9(2)14-6-5-12(15)16/h3-7H,1-2H3
InChIKeySZSGJVPVUAQYQV-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.50
Rot. Bonds1

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

3-(5-chloro-2-methylphenyl)-2-methylpyrimidin-4-one (PubChem CID 13268369) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 3-(5-chloro-2-methylphenyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(5-chloro-2-methylphenyl)-2-methylpyrimidin-4-one
PubChem CID13268369
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name3-(5-chloro-2-methylphenyl)-2-methylpyrimidin-4-one
SMILESCc1ccc(Cl)cc1-n1c(C)nccc1=O
InChIInChI=1S/C12H11ClN2O/c1-8-3-4-10(13)7-11(8)15-9(2)14-6-5-12(15)16/h3-7H,1-2H3
InChIKeySZSGJVPVUAQYQV-UHFFFAOYSA-N
XLogP2.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(2-methylphenyl)pyrimidin-4-one;bis(propan-2-ol)
CID 161354189
3-(5-chloro-2-methylphenyl)-2,6-diphenylpyrimidin-4-one
CID 13280782
3-chloro-4-(5-chloro-2-methylphenyl)-5-phenyl-1,2,4-triazole
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3-acetyl-1-(5-chloro-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one
CID 54678218
2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole
CID 142810831
1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine
CID 900483
4-chloro-2-(2-methylimidazol-1-yl)benzamide
CID 63811813
5-chloro-2-(2-chloroethyl)-1-(5-chloro-2-methylphenyl)benzimidazole
CID 43666678
2-(5-chloro-2-methylphenyl)-4-methylphthalazin-1-one
CID 7277251
2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79289697
2-(5-chloro-2-methylphenyl)pyrazol-3-amine
CID 82470501
3-(3,5-dichlorophenyl)-2-methylsulfanylpyrimidin-4-one
CID 121005827

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylphenyl)-2-methylpyrimidin-4-one?
The IUPAC name of 3-(5-chloro-2-methylphenyl)-2-methylpyrimidin-4-one (CID 13268369) is 3-(5-chloro-2-methylphenyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 3-(5-chloro-2-methylphenyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 3-(5-chloro-2-methylphenyl)-2-methylpyrimidin-4-one is Cc1ccc(Cl)cc1-n1c(C)nccc1=O.
What is the InChIKey of 3-(5-chloro-2-methylphenyl)-2-methylpyrimidin-4-one?
The InChIKey is SZSGJVPVUAQYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8-3-4-10(13)7-11(8)15-9(2)14-6-5-12(15)16/h3-7H,1-2H3.
What are the key properties of 3-(5-chloro-2-methylphenyl)-2-methylpyrimidin-4-one?
3-(5-chloro-2-methylphenyl)-2-methylpyrimidin-4-one has a molecular weight of 234.69 g/mol, XLogP of 2.50, 1 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-methylpyrimidin-4-one is sourced from PubChem (CID 13268369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).