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

C6H4ClF3N2O — CID 135738612

IUPAC5-chloro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1nc(C(F)(F)F)c(Cl)c(=O)[nH]1
InChIInChI=1S/C6H4ClF3N2O/c1-2-11-4(6(8,9)10)3(7)5(13)12-2/h1H3,(H,11,12,13)
InChIKeyKSEADAIRTMVYRP-UHFFFAOYSA-N
MW212.56 g/mol
LogP1.75
Rot. Bonds

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

5-chloro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135738612) has the molecular formula C6H4ClF3N2O and a molecular weight of 212.56 g/mol. Its IUPAC name is 5-chloro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135738612
Molecular FormulaC6H4ClF3N2O
Molecular Weight212.56 g/mol
Exact Mass212.00
IUPAC Name5-chloro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1nc(C(F)(F)F)c(Cl)c(=O)[nH]1
InChIInChI=1S/C6H4ClF3N2O/c1-2-11-4(6(8,9)10)3(7)5(13)12-2/h1H3,(H,11,12,13)
InChIKeyKSEADAIRTMVYRP-UHFFFAOYSA-N
XLogP1.75
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.56
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
2,4-dimethyl-5-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135852938
5-fluoro-4-(fluoromethyl)-2-methyl-1H-pyrimidin-6-one
CID 136170861
5-Chloro-6-(difluoromethyl)-2-methylpyrimidin-4(3H)-one
CID 136910431
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-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135738612) is 5-chloro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one is Cc1nc(C(F)(F)F)c(Cl)c(=O)[nH]1.
What is the InChIKey of 5-chloro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is KSEADAIRTMVYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2O/c1-2-11-4(6(8,9)10)3(7)5(13)12-2/h1H3,(H,11,12,13).
What are the key properties of 5-chloro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
5-chloro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 212.56 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135738612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).