4-chloro-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine

C7H5ClF4N2S — CID 58252315

IUPAC4-chloro-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine
SMILESCCSc1nc(Cl)c(F)c(C(F)(F)F)n1
InChIInChI=1S/C7H5ClF4N2S/c1-2-15-6-13-4(7(10,11)12)3(9)5(8)14-6/h2H2,1H3
InChIKeyGQHJUPHYTCQVEL-UHFFFAOYSA-N
MW260.64 g/mol
LogP3.40
Rot. Bonds2

About 4-chloro-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine

4-chloro-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine (PubChem CID 58252315) has the molecular formula C7H5ClF4N2S and a molecular weight of 260.64 g/mol. Its IUPAC name is 4-chloro-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine
PubChem CID58252315
Molecular FormulaC7H5ClF4N2S
Molecular Weight260.64 g/mol
Exact Mass259.98
IUPAC Name4-chloro-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine
SMILESCCSc1nc(Cl)c(F)c(C(F)(F)F)n1
InChIInChI=1S/C7H5ClF4N2S/c1-2-15-6-13-4(7(10,11)12)3(9)5(8)14-6/h2H2,1H3
InChIKeyGQHJUPHYTCQVEL-UHFFFAOYSA-N
XLogP3.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.64
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine (CID 58252315) is 4-chloro-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine is CCSc1nc(Cl)c(F)c(C(F)(F)F)n1.
What is the InChIKey of 4-chloro-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine?
The InChIKey is GQHJUPHYTCQVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF4N2S/c1-2-15-6-13-4(7(10,11)12)3(9)5(8)14-6/h2H2,1H3.
What are the key properties of 4-chloro-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine?
4-chloro-2-ethylsulfanyl-5-fluoro-6-(trifluoromethyl)pyrimidine has a molecular weight of 260.64 g/mol, XLogP of 3.40, 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-fluoro-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 58252315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).