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

C9H10ClF3N2S — CID 106768606

IUPAC4-chloro-6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)CSc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N2S/c1-5(2)4-16-7-3-6(10)14-8(15-7)9(11,12)13/h3,5H,4H2,1-2H3
InChIKeyOCOPWEYLAISZIJ-UHFFFAOYSA-N
MW270.71 g/mol
LogP3.90
Rot. Bonds3

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

4-chloro-6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 106768606) has the molecular formula C9H10ClF3N2S and a molecular weight of 270.71 g/mol. Its IUPAC name is 4-chloro-6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidine
PubChem CID106768606
Molecular FormulaC9H10ClF3N2S
Molecular Weight270.71 g/mol
Exact Mass270.02
IUPAC Name4-chloro-6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)CSc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N2S/c1-5(2)4-16-7-3-6(10)14-8(15-7)9(11,12)13/h3,5H,4H2,1-2H3
InChIKeyOCOPWEYLAISZIJ-UHFFFAOYSA-N
XLogP3.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidine (CID 106768606) is 4-chloro-6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidine is CC(C)CSc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is OCOPWEYLAISZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2S/c1-5(2)4-16-7-3-6(10)14-8(15-7)9(11,12)13/h3,5H,4H2,1-2H3.
What are the key properties of 4-chloro-6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 270.71 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methylpropylsulfanyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106768606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).