2-methyl-4-methylsulfanyl-6-(trifluoromethoxy)pyrimidine

C7H7F3N2OS — CID 18711426

IUPAC2-methyl-4-methylsulfanyl-6-(trifluoromethoxy)pyrimidine
SMILESCSc1cc(OC(F)(F)F)nc(C)n1
InChIInChI=1S/C7H7F3N2OS/c1-4-11-5(13-7(8,9)10)3-6(12-4)14-2/h3H,1-2H3
InChIKeyUEELAAWHTHSDSP-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.41
Rot. Bonds2

About 2-methyl-4-methylsulfanyl-6-(trifluoromethoxy)pyrimidine

2-methyl-4-methylsulfanyl-6-(trifluoromethoxy)pyrimidine (PubChem CID 18711426) has the molecular formula C7H7F3N2OS and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-methyl-4-methylsulfanyl-6-(trifluoromethoxy)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-methylsulfanyl-6-(trifluoromethoxy)pyrimidine
PubChem CID18711426
Molecular FormulaC7H7F3N2OS
Molecular Weight224.21 g/mol
Exact Mass224.02
IUPAC Name2-methyl-4-methylsulfanyl-6-(trifluoromethoxy)pyrimidine
SMILESCSc1cc(OC(F)(F)F)nc(C)n1
InChIInChI=1S/C7H7F3N2OS/c1-4-11-5(13-7(8,9)10)3-6(12-4)14-2/h3H,1-2H3
InChIKeyUEELAAWHTHSDSP-UHFFFAOYSA-N
XLogP2.41
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylsulfanyl-6-(trifluoromethoxy)pyrimidine?
The IUPAC name of 2-methyl-4-methylsulfanyl-6-(trifluoromethoxy)pyrimidine (CID 18711426) is 2-methyl-4-methylsulfanyl-6-(trifluoromethoxy)pyrimidine.
What is the SMILES notation for 2-methyl-4-methylsulfanyl-6-(trifluoromethoxy)pyrimidine?
The canonical SMILES for 2-methyl-4-methylsulfanyl-6-(trifluoromethoxy)pyrimidine is CSc1cc(OC(F)(F)F)nc(C)n1.
What is the InChIKey of 2-methyl-4-methylsulfanyl-6-(trifluoromethoxy)pyrimidine?
The InChIKey is UEELAAWHTHSDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2OS/c1-4-11-5(13-7(8,9)10)3-6(12-4)14-2/h3H,1-2H3.
What are the key properties of 2-methyl-4-methylsulfanyl-6-(trifluoromethoxy)pyrimidine?
2-methyl-4-methylsulfanyl-6-(trifluoromethoxy)pyrimidine has a molecular weight of 224.21 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylsulfanyl-6-(trifluoromethoxy)pyrimidine is sourced from PubChem (CID 18711426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).