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

C13H15F3N4O2S — CID 167857061

IUPAC4-methyl-6-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine
SMILESCc1cc(CS(=O)(=O)c2nccn2C(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C13H15F3N4O2S/c1-8(2)20-5-4-17-12(20)23(21,22)7-10-6-9(3)18-11(19-10)13(14,15)16/h4-6,8H,7H2,1-3H3
InChIKeyXCIPCEYWJYOCAQ-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.56
Rot. Bonds4

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

4-methyl-6-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine (PubChem CID 167857061) has the molecular formula C13H15F3N4O2S and a molecular weight of 348.35 g/mol. Its IUPAC name is 4-methyl-6-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-6-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine
PubChem CID167857061
Molecular FormulaC13H15F3N4O2S
Molecular Weight348.35 g/mol
Exact Mass348.09
IUPAC Name4-methyl-6-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine
SMILESCc1cc(CS(=O)(=O)c2nccn2C(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C13H15F3N4O2S/c1-8(2)20-5-4-17-12(20)23(21,22)7-10-6-9(3)18-11(19-10)13(14,15)16/h4-6,8H,7H2,1-3H3
InChIKeyXCIPCEYWJYOCAQ-UHFFFAOYSA-N
XLogP2.56
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.56
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-propan-2-ylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methyl-6-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine (CID 167857061) is 4-methyl-6-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methyl-6-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methyl-6-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine is Cc1cc(CS(=O)(=O)c2nccn2C(C)C)nc(C(F)(F)F)n1.
What is the InChIKey of 4-methyl-6-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine?
The InChIKey is XCIPCEYWJYOCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O2S/c1-8(2)20-5-4-17-12(20)23(21,22)7-10-6-9(3)18-11(19-10)13(14,15)16/h4-6,8H,7H2,1-3H3.
What are the key properties of 4-methyl-6-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine?
4-methyl-6-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine has a molecular weight of 348.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(1-propan-2-ylimidazol-2-yl)sulfonylmethyl]-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 167857061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).