5-chloro-4-(difluoromethyl)-2-methyl-1H-pyrimidin-6-one

C6H5ClF2N2O — CID 136910431

IUPAC5-chloro-4-(difluoromethyl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C(F)F)c(Cl)c(=O)[nH]1
InChIInChI=1S/C6H5ClF2N2O/c1-2-10-4(5(8)9)3(7)6(12)11-2/h5H,1H3,(H,10,11,12)
InChIKeyRZFBDPBCRAQCAY-UHFFFAOYSA-N
MW194.57 g/mol
LogP1.67
Rot. Bonds1

About 5-chloro-4-(difluoromethyl)-2-methyl-1H-pyrimidin-6-one

5-chloro-4-(difluoromethyl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136910431) has the molecular formula C6H5ClF2N2O and a molecular weight of 194.57 g/mol. Its IUPAC name is 5-chloro-4-(difluoromethyl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(difluoromethyl)-2-methyl-1H-pyrimidin-6-one
PubChem CID136910431
Molecular FormulaC6H5ClF2N2O
Molecular Weight194.57 g/mol
Exact Mass194.01
IUPAC Name5-chloro-4-(difluoromethyl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C(F)F)c(Cl)c(=O)[nH]1
InChIInChI=1S/C6H5ClF2N2O/c1-2-10-4(5(8)9)3(7)6(12)11-2/h5H,1H3,(H,10,11,12)
InChIKeyRZFBDPBCRAQCAY-UHFFFAOYSA-N
XLogP1.67
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.57
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-4-(difluoromethyl)-2-methyl-1H-pyrimidin-6-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-Hydroxy-2-methyl-6-(trifluoromethyl)pyrimidine
CID 135416727
5-Fluoro-2,6-dimethylpyrimidin-4(1h)-one
CID 135416969
2-(Chloromethyl)-6-(trifluoromethyl)pyrimidin-4-ol
CID 136264589
2-(Chloromethyl)-5-fluoro-6-methyl-3,4-dihydropyrimidin-4-one
CID 136288316
5-Fluoro-2-methyl-6-(trifluoromethyl)pyrimidin-4(1h)-one
CID 135438213
2,5-Dimethyl-6-trifluoromethyl-pyrimidin-4-OL
CID 135588819
6-Chloro-5-fluoro-2-methylpyrimidin-4-ol
CID 135638420
5-Chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-OL
CID 135738612
2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135852938
5-fluoro-4-(fluoromethyl)-2-methyl-1H-pyrimidin-6-one
CID 136170861
6-(Difluoromethyl)-2-methylpyrimidin-4-ol
CID 136910432
5-Chloro-2,6-dimethylpyrimidin-4-ol
CID 135741800

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(difluoromethyl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(difluoromethyl)-2-methyl-1H-pyrimidin-6-one (CID 136910431) is 5-chloro-4-(difluoromethyl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(difluoromethyl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(difluoromethyl)-2-methyl-1H-pyrimidin-6-one is Cc1nc(C(F)F)c(Cl)c(=O)[nH]1.
What is the InChIKey of 5-chloro-4-(difluoromethyl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is RZFBDPBCRAQCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2O/c1-2-10-4(5(8)9)3(7)6(12)11-2/h5H,1H3,(H,10,11,12).
What are the key properties of 5-chloro-4-(difluoromethyl)-2-methyl-1H-pyrimidin-6-one?
5-chloro-4-(difluoromethyl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 194.57 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(difluoromethyl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136910431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).