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

C12H15F3N2O2S — CID 164623441

IUPAC4-cyclohexyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
SMILESCS(=O)(=O)c1nc(C2CCCCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H15F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h7-8H,2-6H2,1H3
InChIKeyVPSZIIAFFPBLGA-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.95
Rot. Bonds2

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

4-cyclohexyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine (PubChem CID 164623441) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is 4-cyclohexyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-cyclohexyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
PubChem CID164623441
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC Name4-cyclohexyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
SMILESCS(=O)(=O)c1nc(C2CCCCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H15F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h7-8H,2-6H2,1H3
InChIKeyVPSZIIAFFPBLGA-UHFFFAOYSA-N
XLogP2.95
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methylsulfonyl-4-phenyl-6-(trifluoromethyl)pyrimidine
CID 3236803
6-Methyl-2-(methylsulfonyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
CID 3245844
4-(Difluoromethyl)-6-(4-methylphenyl)-2-(methylsulfonyl)pyrimidine
CID 4247905
Pyrimidine,2-MeSO-4-CF3-6-phenyl
CID 1084317
4-(4-Fluorophenyl)-2-(methylsulfonyl)-6-(trifluoromethyl)pyrimidine
CID 2987363
4-(4-Methylphenyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
CID 134201866
4-(3-Methylphenyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
CID 134201867
4-(2-Methylphenyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
CID 134201878
2-Methylsulfonyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
CID 3242158
2-(Methanesulfonyl)-4-methyl-6-phenylpyrimidine
CID 3666981
4-(3-Fluorophenyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
CID 134201858
2-(Methylsulfanyl)-4-(propan-2-yl)-6-(trifluoromethyl)pyrimidine
CID 12324830

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-cyclohexyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine (CID 164623441) is 4-cyclohexyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-cyclohexyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-cyclohexyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine is CS(=O)(=O)c1nc(C2CCCCC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-cyclohexyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is VPSZIIAFFPBLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h7-8H,2-6H2,1H3.
What are the key properties of 4-cyclohexyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine?
4-cyclohexyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 308.33 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 164623441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).