4-chloro-6-propylsulfanyl-2-(trifluoromethyl)pyrimidine

C8H8ClF3N2S — CID 106768617

IUPAC4-chloro-6-propylsulfanyl-2-(trifluoromethyl)pyrimidine
SMILESCCCSc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C8H8ClF3N2S/c1-2-3-15-6-4-5(9)13-7(14-6)8(10,11)12/h4H,2-3H2,1H3
InChIKeyIXYYZPMAAZENAB-UHFFFAOYSA-N
MW256.68 g/mol
LogP3.65
Rot. Bonds3

About 4-chloro-6-propylsulfanyl-2-(trifluoromethyl)pyrimidine

4-chloro-6-propylsulfanyl-2-(trifluoromethyl)pyrimidine (PubChem CID 106768617) has the molecular formula C8H8ClF3N2S and a molecular weight of 256.68 g/mol. Its IUPAC name is 4-chloro-6-propylsulfanyl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-propylsulfanyl-2-(trifluoromethyl)pyrimidine
PubChem CID106768617
Molecular FormulaC8H8ClF3N2S
Molecular Weight256.68 g/mol
Exact Mass256.00
IUPAC Name4-chloro-6-propylsulfanyl-2-(trifluoromethyl)pyrimidine
SMILESCCCSc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C8H8ClF3N2S/c1-2-3-15-6-4-5(9)13-7(14-6)8(10,11)12/h4H,2-3H2,1H3
InChIKeyIXYYZPMAAZENAB-UHFFFAOYSA-N
XLogP3.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.68
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-propylsulfanyl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-propylsulfanyl-2-(trifluoromethyl)pyrimidine (CID 106768617) is 4-chloro-6-propylsulfanyl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-propylsulfanyl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-propylsulfanyl-2-(trifluoromethyl)pyrimidine is CCCSc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-propylsulfanyl-2-(trifluoromethyl)pyrimidine?
The InChIKey is IXYYZPMAAZENAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2S/c1-2-3-15-6-4-5(9)13-7(14-6)8(10,11)12/h4H,2-3H2,1H3.
What are the key properties of 4-chloro-6-propylsulfanyl-2-(trifluoromethyl)pyrimidine?
4-chloro-6-propylsulfanyl-2-(trifluoromethyl)pyrimidine has a molecular weight of 256.68 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-propylsulfanyl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106768617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).