4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfinyl chloride

C6H4ClF3N2OS — CID 169143990

IUPAC4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfinyl chloride
SMILESCc1nc(C(F)(F)F)ncc1S(=O)Cl
InChIInChI=1S/C6H4ClF3N2OS/c1-3-4(14(7)13)2-11-5(12-3)6(8,9)10/h2H,1H3
InChIKeyIVBKTBUNIYGEDB-UHFFFAOYSA-N
MW244.63 g/mol
LogP2.07
Rot. Bonds1

About 4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfinyl chloride

4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfinyl chloride (PubChem CID 169143990) has the molecular formula C6H4ClF3N2OS and a molecular weight of 244.63 g/mol. Its IUPAC name is 4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfinyl chloride.

Molecular Properties

Compound Name4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfinyl chloride
PubChem CID169143990
Molecular FormulaC6H4ClF3N2OS
Molecular Weight244.63 g/mol
Exact Mass243.97
IUPAC Name4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfinyl chloride
SMILESCc1nc(C(F)(F)F)ncc1S(=O)Cl
InChIInChI=1S/C6H4ClF3N2OS/c1-3-4(14(7)13)2-11-5(12-3)6(8,9)10/h2H,1H3
InChIKeyIVBKTBUNIYGEDB-UHFFFAOYSA-N
XLogP2.07
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.63
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfinyl chloride 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 4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfinyl chloride?
The IUPAC name of 4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfinyl chloride (CID 169143990) is 4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfinyl chloride.
What is the SMILES notation for 4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfinyl chloride?
The canonical SMILES for 4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfinyl chloride is Cc1nc(C(F)(F)F)ncc1S(=O)Cl.
What is the InChIKey of 4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfinyl chloride?
The InChIKey is IVBKTBUNIYGEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2OS/c1-3-4(14(7)13)2-11-5(12-3)6(8,9)10/h2H,1H3.
What are the key properties of 4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfinyl chloride?
4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfinyl chloride has a molecular weight of 244.63 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfinyl chloride is sourced from PubChem (CID 169143990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).