4-(3-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidin-2-one

C12H11FN2O — CID 106520134

IUPAC4-(3-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidin-2-one
SMILESCc1cc(-c2cccc(F)c2C)nc(=O)[nH]1
InChIInChI=1S/C12H11FN2O/c1-7-6-11(15-12(16)14-7)9-4-3-5-10(13)8(9)2/h3-6H,1-2H3,(H,14,15,16)
InChIKeyJXRAASGUBRNQBI-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.19
Rot. Bonds1

About 4-(3-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidin-2-one

4-(3-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidin-2-one (PubChem CID 106520134) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 4-(3-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(3-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidin-2-one
PubChem CID106520134
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name4-(3-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidin-2-one
SMILESCc1cc(-c2cccc(F)c2C)nc(=O)[nH]1
InChIInChI=1S/C12H11FN2O/c1-7-6-11(15-12(16)14-7)9-4-3-5-10(13)8(9)2/h3-6H,1-2H3,(H,14,15,16)
InChIKeyJXRAASGUBRNQBI-UHFFFAOYSA-N
XLogP2.19
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-fluoro-2-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769751
6-methyl-4-quinolin-8-yl-1H-pyrimidin-2-one
CID 106519681
4-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 116894823
2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzoic acid
CID 105487601
2-chloro-4-(3-fluoro-2-methylphenyl)-6-methylpyrimidine
CID 115502925
2-tert-butyl-4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine
CID 115502930
4-(2,3-difluorophenyl)-2-methyl-1H-pyrimidin-6-one
CID 136769233
4-(3-acetylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 105485427
4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 116894751
4-(furan-3-yl)-6-methyl-1H-pyrimidin-2-one
CID 103922854
4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine
CID 115502919
1-fluoro-3-(4-fluorophenyl)-2-methylbenzene
CID 46313945

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 4-(3-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidin-2-one (CID 106520134) is 4-(3-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(3-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 4-(3-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidin-2-one is Cc1cc(-c2cccc(F)c2C)nc(=O)[nH]1.
What is the InChIKey of 4-(3-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidin-2-one?
The InChIKey is JXRAASGUBRNQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-7-6-11(15-12(16)14-7)9-4-3-5-10(13)8(9)2/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of 4-(3-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidin-2-one?
4-(3-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidin-2-one has a molecular weight of 218.23 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 106520134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).