4-methyl-6-[(1-methylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine

C11H11F3N4O2S — CID 167864844

IUPAC4-methyl-6-[(1-methylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine
SMILESCc1cc(CS(=O)(=O)c2nccn2C)nc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4O2S/c1-7-5-8(17-9(16-7)11(12,13)14)6-21(19,20)10-15-3-4-18(10)2/h3-5H,6H2,1-2H3
InChIKeyRWXLZMHMBXSTLR-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.51
Rot. Bonds3

About 4-methyl-6-[(1-methylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine

4-methyl-6-[(1-methylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine (PubChem CID 167864844) has the molecular formula C11H11F3N4O2S and a molecular weight of 320.30 g/mol. Its IUPAC name is 4-methyl-6-[(1-methylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-6-[(1-methylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine
PubChem CID167864844
Molecular FormulaC11H11F3N4O2S
Molecular Weight320.30 g/mol
Exact Mass320.06
IUPAC Name4-methyl-6-[(1-methylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine
SMILESCc1cc(CS(=O)(=O)c2nccn2C)nc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4O2S/c1-7-5-8(17-9(16-7)11(12,13)14)6-21(19,20)10-15-3-4-18(10)2/h3-5H,6H2,1-2H3
InChIKeyRWXLZMHMBXSTLR-UHFFFAOYSA-N
XLogP1.51
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(1-methylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methyl-6-[(1-methylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine (CID 167864844) is 4-methyl-6-[(1-methylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methyl-6-[(1-methylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methyl-6-[(1-methylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine is Cc1cc(CS(=O)(=O)c2nccn2C)nc(C(F)(F)F)n1.
What is the InChIKey of 4-methyl-6-[(1-methylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine?
The InChIKey is RWXLZMHMBXSTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2S/c1-7-5-8(17-9(16-7)11(12,13)14)6-21(19,20)10-15-3-4-18(10)2/h3-5H,6H2,1-2H3.
What are the key properties of 4-methyl-6-[(1-methylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine?
4-methyl-6-[(1-methylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine has a molecular weight of 320.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(1-methylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 167864844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).