4-methyl-6-(thiophen-3-ylsulfonylmethyl)-2-(trifluoromethyl)pyrimidine

C11H9F3N2O2S2 — CID 167814247

IUPAC4-methyl-6-(thiophen-3-ylsulfonylmethyl)-2-(trifluoromethyl)pyrimidine
SMILESCc1cc(CS(=O)(=O)c2ccsc2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H9F3N2O2S2/c1-7-4-8(16-10(15-7)11(12,13)14)6-20(17,18)9-2-3-19-5-9/h2-5H,6H2,1H3
InChIKeyIKENNKNKIOSZBI-UHFFFAOYSA-N
MW322.33 g/mol
LogP2.84
Rot. Bonds3

About 4-methyl-6-(thiophen-3-ylsulfonylmethyl)-2-(trifluoromethyl)pyrimidine

4-methyl-6-(thiophen-3-ylsulfonylmethyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 167814247) has the molecular formula C11H9F3N2O2S2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 4-methyl-6-(thiophen-3-ylsulfonylmethyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-6-(thiophen-3-ylsulfonylmethyl)-2-(trifluoromethyl)pyrimidine
PubChem CID167814247
Molecular FormulaC11H9F3N2O2S2
Molecular Weight322.33 g/mol
Exact Mass322.01
IUPAC Name4-methyl-6-(thiophen-3-ylsulfonylmethyl)-2-(trifluoromethyl)pyrimidine
SMILESCc1cc(CS(=O)(=O)c2ccsc2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H9F3N2O2S2/c1-7-4-8(16-10(15-7)11(12,13)14)6-20(17,18)9-2-3-19-5-9/h2-5H,6H2,1H3
InChIKeyIKENNKNKIOSZBI-UHFFFAOYSA-N
XLogP2.84
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(thiophen-3-ylsulfonylmethyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methyl-6-(thiophen-3-ylsulfonylmethyl)-2-(trifluoromethyl)pyrimidine (CID 167814247) is 4-methyl-6-(thiophen-3-ylsulfonylmethyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methyl-6-(thiophen-3-ylsulfonylmethyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methyl-6-(thiophen-3-ylsulfonylmethyl)-2-(trifluoromethyl)pyrimidine is Cc1cc(CS(=O)(=O)c2ccsc2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-methyl-6-(thiophen-3-ylsulfonylmethyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is IKENNKNKIOSZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2S2/c1-7-4-8(16-10(15-7)11(12,13)14)6-20(17,18)9-2-3-19-5-9/h2-5H,6H2,1H3.
What are the key properties of 4-methyl-6-(thiophen-3-ylsulfonylmethyl)-2-(trifluoromethyl)pyrimidine?
4-methyl-6-(thiophen-3-ylsulfonylmethyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 322.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(thiophen-3-ylsulfonylmethyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 167814247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).