4-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine

C7H7F3N2O2S — CID 11149140

IUPAC4-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc(S(C)(=O)=O)n1
InChIInChI=1S/C7H7F3N2O2S/c1-4-3-5(7(8,9)10)12-6(11-4)15(2,13)14/h3H,1-2H3
InChIKeyWJWGFBJKNPGBQS-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.21
Rot. Bonds1

About 4-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine

4-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine (PubChem CID 11149140) has the molecular formula C7H7F3N2O2S and a molecular weight of 240.21 g/mol. Its IUPAC name is 4-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
PubChem CID11149140
Molecular FormulaC7H7F3N2O2S
Molecular Weight240.21 g/mol
Exact Mass240.02
IUPAC Name4-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc(S(C)(=O)=O)n1
InChIInChI=1S/C7H7F3N2O2S/c1-4-3-5(7(8,9)10)12-6(11-4)15(2,13)14/h3H,1-2H3
InChIKeyWJWGFBJKNPGBQS-UHFFFAOYSA-N
XLogP1.21
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine (CID 11149140) is 4-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine is Cc1cc(C(F)(F)F)nc(S(C)(=O)=O)n1.
What is the InChIKey of 4-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is WJWGFBJKNPGBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2S/c1-4-3-5(7(8,9)10)12-6(11-4)15(2,13)14/h3H,1-2H3.
What are the key properties of 4-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine?
4-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 240.21 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 11149140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).