3-(difluoromethyl)-6-(2,4-difluorophenyl)-2-methylpyrimidin-4-one

C12H8F4N2O — CID 139921195

IUPAC3-(difluoromethyl)-6-(2,4-difluorophenyl)-2-methylpyrimidin-4-one
SMILESCc1nc(-c2ccc(F)cc2F)cc(=O)n1C(F)F
InChIInChI=1S/C12H8F4N2O/c1-6-17-10(5-11(19)18(6)12(15)16)8-3-2-7(13)4-9(8)14/h2-5,12H,1H3
InChIKeyWPIGLXILFHZENF-UHFFFAOYSA-N
MW272.20 g/mol
LogP2.89
Rot. Bonds2

About 3-(difluoromethyl)-6-(2,4-difluorophenyl)-2-methylpyrimidin-4-one

3-(difluoromethyl)-6-(2,4-difluorophenyl)-2-methylpyrimidin-4-one (PubChem CID 139921195) has the molecular formula C12H8F4N2O and a molecular weight of 272.20 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-(2,4-difluorophenyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(difluoromethyl)-6-(2,4-difluorophenyl)-2-methylpyrimidin-4-one
PubChem CID139921195
Molecular FormulaC12H8F4N2O
Molecular Weight272.20 g/mol
Exact Mass272.06
IUPAC Name3-(difluoromethyl)-6-(2,4-difluorophenyl)-2-methylpyrimidin-4-one
SMILESCc1nc(-c2ccc(F)cc2F)cc(=O)n1C(F)F
InChIInChI=1S/C12H8F4N2O/c1-6-17-10(5-11(19)18(6)12(15)16)8-3-2-7(13)4-9(8)14/h2-5,12H,1H3
InChIKeyWPIGLXILFHZENF-UHFFFAOYSA-N
XLogP2.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 175964945
6-(2,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69042733
6-(2,4-difluorophenyl)-N,N-dimethylpyridine-2-carboxamide
CID 77083219
3-(2,4-difluorophenyl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 113300104
1-(difluoromethyl)-4,6-difluoro-2-methylbenzimidazole
CID 175742678
2-(2,4-difluorophenyl)-5-fluoropyridine
CID 130334925
6-(2,4-difluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole
CID 115281760
6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189587
6-[4-(2,4-difluorophenyl)-2-methylimidazol-1-yl]-8-methyl-1H-quinolin-2-one
CID 70418029
3-cyano-6-(2,4-difluorophenyl)-2-methylpyridine-4-carboxylic acid
CID 134083419
3-bromo-6-(2,4-difluorophenyl)-2-methylimidazo[1,2-b]pyridazine
CID 116854958
2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid
CID 5238835

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-(2,4-difluorophenyl)-2-methylpyrimidin-4-one?
The IUPAC name of 3-(difluoromethyl)-6-(2,4-difluorophenyl)-2-methylpyrimidin-4-one (CID 139921195) is 3-(difluoromethyl)-6-(2,4-difluorophenyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 3-(difluoromethyl)-6-(2,4-difluorophenyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 3-(difluoromethyl)-6-(2,4-difluorophenyl)-2-methylpyrimidin-4-one is Cc1nc(-c2ccc(F)cc2F)cc(=O)n1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-6-(2,4-difluorophenyl)-2-methylpyrimidin-4-one?
The InChIKey is WPIGLXILFHZENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O/c1-6-17-10(5-11(19)18(6)12(15)16)8-3-2-7(13)4-9(8)14/h2-5,12H,1H3.
What are the key properties of 3-(difluoromethyl)-6-(2,4-difluorophenyl)-2-methylpyrimidin-4-one?
3-(difluoromethyl)-6-(2,4-difluorophenyl)-2-methylpyrimidin-4-one has a molecular weight of 272.20 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-(2,4-difluorophenyl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 139921195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).