2-chloro-4-methylsulfanyl-5-(trifluoromethyl)pyrimidine

C6H4ClF3N2S — CID 58464574

IUPAC2-chloro-4-methylsulfanyl-5-(trifluoromethyl)pyrimidine
SMILESCSc1nc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C6H4ClF3N2S/c1-13-4-3(6(8,9)10)2-11-5(7)12-4/h2H,1H3
InChIKeyBLIPNZWEKHPXMU-UHFFFAOYSA-N
MW228.63 g/mol
LogP2.87
Rot. Bonds1

About 2-chloro-4-methylsulfanyl-5-(trifluoromethyl)pyrimidine

2-chloro-4-methylsulfanyl-5-(trifluoromethyl)pyrimidine (PubChem CID 58464574) has the molecular formula C6H4ClF3N2S and a molecular weight of 228.63 g/mol. Its IUPAC name is 2-chloro-4-methylsulfanyl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-methylsulfanyl-5-(trifluoromethyl)pyrimidine
PubChem CID58464574
Molecular FormulaC6H4ClF3N2S
Molecular Weight228.63 g/mol
Exact Mass227.97
IUPAC Name2-chloro-4-methylsulfanyl-5-(trifluoromethyl)pyrimidine
SMILESCSc1nc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C6H4ClF3N2S/c1-13-4-3(6(8,9)10)2-11-5(7)12-4/h2H,1H3
InChIKeyBLIPNZWEKHPXMU-UHFFFAOYSA-N
XLogP2.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylsulfanyl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-methylsulfanyl-5-(trifluoromethyl)pyrimidine (CID 58464574) is 2-chloro-4-methylsulfanyl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-methylsulfanyl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-methylsulfanyl-5-(trifluoromethyl)pyrimidine is CSc1nc(Cl)ncc1C(F)(F)F.
What is the InChIKey of 2-chloro-4-methylsulfanyl-5-(trifluoromethyl)pyrimidine?
The InChIKey is BLIPNZWEKHPXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2S/c1-13-4-3(6(8,9)10)2-11-5(7)12-4/h2H,1H3.
What are the key properties of 2-chloro-4-methylsulfanyl-5-(trifluoromethyl)pyrimidine?
2-chloro-4-methylsulfanyl-5-(trifluoromethyl)pyrimidine has a molecular weight of 228.63 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methylsulfanyl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 58464574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).