3-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one

C7H7F3N2OS — CID 1486660

IUPAC3-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCSc1nc(C(F)(F)F)cc(=O)n1C
InChIInChI=1S/C7H7F3N2OS/c1-12-5(13)3-4(7(8,9)10)11-6(12)14-2/h3H,1-2H3
InChIKeyPBQNVDKEOYJSNU-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.52
Rot. Bonds1

About 3-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one

3-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 1486660) has the molecular formula C7H7F3N2OS and a molecular weight of 224.21 g/mol. Its IUPAC name is 3-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID1486660
Molecular FormulaC7H7F3N2OS
Molecular Weight224.21 g/mol
Exact Mass224.02
IUPAC Name3-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCSc1nc(C(F)(F)F)cc(=O)n1C
InChIInChI=1S/C7H7F3N2OS/c1-12-5(13)3-4(7(8,9)10)11-6(12)14-2/h3H,1-2H3
InChIKeyPBQNVDKEOYJSNU-UHFFFAOYSA-N
XLogP1.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one (CID 1486660) is 3-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one is CSc1nc(C(F)(F)F)cc(=O)n1C.
What is the InChIKey of 3-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is PBQNVDKEOYJSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2OS/c1-12-5(13)3-4(7(8,9)10)11-6(12)14-2/h3H,1-2H3.
What are the key properties of 3-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one?
3-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 224.21 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 1486660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).