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

C7H6ClF3N2S — CID 135374377

IUPAC4-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine
SMILESCCSc1ncc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C7H6ClF3N2S/c1-2-14-6-12-3-4(5(8)13-6)7(9,10)11/h3H,2H2,1H3
InChIKeyAOZPICIKTJONSH-UHFFFAOYSA-N
MW242.65 g/mol
LogP3.26
Rot. Bonds2

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

4-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine (PubChem CID 135374377) has the molecular formula C7H6ClF3N2S and a molecular weight of 242.65 g/mol. Its IUPAC name is 4-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine
PubChem CID135374377
Molecular FormulaC7H6ClF3N2S
Molecular Weight242.65 g/mol
Exact Mass241.99
IUPAC Name4-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine
SMILESCCSc1ncc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C7H6ClF3N2S/c1-2-14-6-12-3-4(5(8)13-6)7(9,10)11/h3H,2H2,1H3
InChIKeyAOZPICIKTJONSH-UHFFFAOYSA-N
XLogP3.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.65
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine 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-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine (CID 135374377) is 4-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine is CCSc1ncc(C(F)(F)F)c(Cl)n1.
What is the InChIKey of 4-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine?
The InChIKey is AOZPICIKTJONSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2S/c1-2-14-6-12-3-4(5(8)13-6)7(9,10)11/h3H,2H2,1H3.
What are the key properties of 4-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine?
4-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine has a molecular weight of 242.65 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 135374377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).