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

C11H8F3N3OS — CID 175801485

IUPAC1-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one
SMILESCSc1nc(-n2ccccc2=O)cc(C(F)(F)F)n1
InChIInChI=1S/C11H8F3N3OS/c1-19-10-15-7(11(12,13)14)6-8(16-10)17-5-3-2-4-9(17)18/h2-6H,1H3
InChIKeyVNDQBADUYRUSNX-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.37
Rot. Bonds2

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

1-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one (PubChem CID 175801485) has the molecular formula C11H8F3N3OS and a molecular weight of 287.27 g/mol. Its IUPAC name is 1-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one
PubChem CID175801485
Molecular FormulaC11H8F3N3OS
Molecular Weight287.27 g/mol
Exact Mass287.03
IUPAC Name1-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one
SMILESCSc1nc(-n2ccccc2=O)cc(C(F)(F)F)n1
InChIInChI=1S/C11H8F3N3OS/c1-19-10-15-7(11(12,13)14)6-8(16-10)17-5-3-2-4-9(17)18/h2-6H,1H3
InChIKeyVNDQBADUYRUSNX-UHFFFAOYSA-N
XLogP2.37
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-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

1-(6-Methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione
CID 719065
5-Fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione
CID 719067
1-[2-Methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one
CID 175801427
1-[2-Methylsulfonyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one
CID 175801445
4-(Difluoromethyl)-2-methylsulfanyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 176025216
8-Methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 18158517
2-[[4-(Trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 18158561
1,3-Dimethyl-6-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]pyrimidine-2,4-dione
CID 18158587
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 40663364
9-Methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 46519263
1-[(4-Amino-6-methylpyrimidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 80654269
1-[[4-Methyl-6-(methylamino)pyrimidin-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81310130

Frequently Asked Questions

What is the IUPAC name of 1-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one?
The IUPAC name of 1-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one (CID 175801485) is 1-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one.
What is the SMILES notation for 1-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one?
The canonical SMILES for 1-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one is CSc1nc(-n2ccccc2=O)cc(C(F)(F)F)n1.
What is the InChIKey of 1-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one?
The InChIKey is VNDQBADUYRUSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3OS/c1-19-10-15-7(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-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one?
1-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one has a molecular weight of 287.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]pyridin-2-one is sourced from PubChem (CID 175801485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).