1-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one

C11H8F3N3O2S — CID 175801427

IUPAC1-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one
SMILESCS(=O)c1nc(-n2ccccc2=O)cc(C(F)(F)F)n1
InChIInChI=1S/C11H8F3N3O2S/c1-20(19)10-15-7(11(12,13)14)6-8(16-10)17-5-3-2-4-9(17)18/h2-6H,1H3
InChIKeyPJBVTVBDUULPSH-UHFFFAOYSA-N
MW303.27 g/mol
LogP1.38
Rot. Bonds2

About 1-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one

1-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one (PubChem CID 175801427) has the molecular formula C11H8F3N3O2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 1-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one
PubChem CID175801427
Molecular FormulaC11H8F3N3O2S
Molecular Weight303.27 g/mol
Exact Mass303.03
IUPAC Name1-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one
SMILESCS(=O)c1nc(-n2ccccc2=O)cc(C(F)(F)F)n1
InChIInChI=1S/C11H8F3N3O2S/c1-20(19)10-15-7(11(12,13)14)6-8(16-10)17-5-3-2-4-9(17)18/h2-6H,1H3
InChIKeyPJBVTVBDUULPSH-UHFFFAOYSA-N
XLogP1.38
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one?
The IUPAC name of 1-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one (CID 175801427) is 1-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one.
What is the SMILES notation for 1-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one?
The canonical SMILES for 1-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one is CS(=O)c1nc(-n2ccccc2=O)cc(C(F)(F)F)n1.
What is the InChIKey of 1-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one?
The InChIKey is PJBVTVBDUULPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2S/c1-20(19)10-15-7(11(12,13)14)6-8(16-10)17-5-3-2-4-9(17)18/h2-6H,1H3.
What are the key properties of 1-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one?
1-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one has a molecular weight of 303.27 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one is sourced from PubChem (CID 175801427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).