2,4,6-trifluoro-5-methylsulfinylpyrimidine

C5H3F3N2OS — CID 22158545

IUPAC2,4,6-trifluoro-5-methylsulfinylpyrimidine
SMILESCS(=O)c1c(F)nc(F)nc1F
InChIInChI=1S/C5H3F3N2OS/c1-12(11)2-3(6)9-5(8)10-4(2)7/h1H3
InChIKeyVAUNQFKSQVPRRF-UHFFFAOYSA-N
MW196.15 g/mol
LogP0.63
Rot. Bonds1

About 2,4,6-trifluoro-5-methylsulfinylpyrimidine

2,4,6-trifluoro-5-methylsulfinylpyrimidine (PubChem CID 22158545) has the molecular formula C5H3F3N2OS and a molecular weight of 196.15 g/mol. Its IUPAC name is 2,4,6-trifluoro-5-methylsulfinylpyrimidine.

Molecular Properties

Compound Name2,4,6-trifluoro-5-methylsulfinylpyrimidine
PubChem CID22158545
Molecular FormulaC5H3F3N2OS
Molecular Weight196.15 g/mol
Exact Mass195.99
IUPAC Name2,4,6-trifluoro-5-methylsulfinylpyrimidine
SMILESCS(=O)c1c(F)nc(F)nc1F
InChIInChI=1S/C5H3F3N2OS/c1-12(11)2-3(6)9-5(8)10-4(2)7/h1H3
InChIKeyVAUNQFKSQVPRRF-UHFFFAOYSA-N
XLogP0.63
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4,6-trifluoro-5-methylsulfinylpyrimidine 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 2,4,6-trifluoro-5-methylsulfinylpyrimidine?
The IUPAC name of 2,4,6-trifluoro-5-methylsulfinylpyrimidine (CID 22158545) is 2,4,6-trifluoro-5-methylsulfinylpyrimidine.
What is the SMILES notation for 2,4,6-trifluoro-5-methylsulfinylpyrimidine?
The canonical SMILES for 2,4,6-trifluoro-5-methylsulfinylpyrimidine is CS(=O)c1c(F)nc(F)nc1F.
What is the InChIKey of 2,4,6-trifluoro-5-methylsulfinylpyrimidine?
The InChIKey is VAUNQFKSQVPRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2OS/c1-12(11)2-3(6)9-5(8)10-4(2)7/h1H3.
What are the key properties of 2,4,6-trifluoro-5-methylsulfinylpyrimidine?
2,4,6-trifluoro-5-methylsulfinylpyrimidine has a molecular weight of 196.15 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-5-methylsulfinylpyrimidine is sourced from PubChem (CID 22158545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).