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

C6H4F4N2O — CID 135438213

IUPAC5-fluoro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1nc(C(F)(F)F)c(F)c(=O)[nH]1
InChIInChI=1S/C6H4F4N2O/c1-2-11-4(6(8,9)10)3(7)5(13)12-2/h1H3,(H,11,12,13)
InChIKeyYKVGKGFYBITAHA-UHFFFAOYSA-N
MW196.10 g/mol
LogP1.24
Rot. Bonds

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

5-fluoro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135438213) has the molecular formula C6H4F4N2O and a molecular weight of 196.10 g/mol. Its IUPAC name is 5-fluoro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135438213
Molecular FormulaC6H4F4N2O
Molecular Weight196.10 g/mol
Exact Mass196.03
IUPAC Name5-fluoro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1nc(C(F)(F)F)c(F)c(=O)[nH]1
InChIInChI=1S/C6H4F4N2O/c1-2-11-4(6(8,9)10)3(7)5(13)12-2/h1H3,(H,11,12,13)
InChIKeyYKVGKGFYBITAHA-UHFFFAOYSA-N
XLogP1.24
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.10
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxy-2-methyl-6-(trifluoromethyl)pyrimidine
CID 135416727
2,6-Bis(trifluoromethyl)pyrimidin-4-ol
CID 135408608
6-Methyl-2-trifluoromethylpyrimidin-4-ol
CID 135408616
5,6-Dimethyl-2-(trifluoromethyl)pyrimidin-4(1H)-one
CID 135419009
5-Fluoro-2,6-dimethylpyrimidin-4(1h)-one
CID 135416969
6-(Fluoromethyl)-2-methylpyrimidin-4(1h)-one
CID 135481232
4-Hydroxy-2-methyl-6-pentafluoroethyl-5-trifluoromethylpyrimidine
CID 135485181
4-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-pyrimidin-6-one
CID 178326068
5-Iodo-2,6-dimethylpyrimidin-4-ol
CID 135447935
5-Fluoro-2-methyl-6-(pentafluoroethyl)pyrimidin-4(1h)-one
CID 135465281
6-amino-5-fluoro-2-methyl-1H-pyrimidin-4-one
CID 135415817
2,5-Dimethyl-6-trifluoromethyl-pyrimidin-4-OL
CID 135588819

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135438213) is 5-fluoro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one is Cc1nc(C(F)(F)F)c(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is YKVGKGFYBITAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4N2O/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-fluoro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
5-fluoro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 196.10 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135438213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).