4-chloro-5-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine

C7H6ClF3N2S — CID 83399146

IUPAC4-chloro-5-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
SMILESCSc1nc(Cl)c(C)c(C(F)(F)F)n1
InChIInChI=1S/C7H6ClF3N2S/c1-3-4(7(9,10)11)12-6(14-2)13-5(3)8/h1-2H3
InChIKeyABKHBCQEUHLOLK-UHFFFAOYSA-N
MW242.65 g/mol
LogP3.18
Rot. Bonds1

About 4-chloro-5-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine

4-chloro-5-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine (PubChem CID 83399146) has the molecular formula C7H6ClF3N2S and a molecular weight of 242.65 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
PubChem CID83399146
Molecular FormulaC7H6ClF3N2S
Molecular Weight242.65 g/mol
Exact Mass241.99
IUPAC Name4-chloro-5-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
SMILESCSc1nc(Cl)c(C)c(C(F)(F)F)n1
InChIInChI=1S/C7H6ClF3N2S/c1-3-4(7(9,10)11)12-6(14-2)13-5(3)8/h1-2H3
InChIKeyABKHBCQEUHLOLK-UHFFFAOYSA-N
XLogP3.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.65
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-5-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine (CID 83399146) is 4-chloro-5-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine is CSc1nc(Cl)c(C)c(C(F)(F)F)n1.
What is the InChIKey of 4-chloro-5-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is ABKHBCQEUHLOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2S/c1-3-4(7(9,10)11)12-6(14-2)13-5(3)8/h1-2H3.
What are the key properties of 4-chloro-5-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine?
4-chloro-5-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 242.65 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 83399146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).