3-cyclohexyl-2-methyl-6-(trifluoromethyl)pyrimidin-4-one

C12H15F3N2O — CID 162542096

IUPAC3-cyclohexyl-2-methyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCc1nc(C(F)(F)F)cc(=O)n1C1CCCCC1
InChIInChI=1S/C12H15F3N2O/c1-8-16-10(12(13,14)15)7-11(18)17(8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyLBDJEBLRBZTNPY-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.08
Rot. Bonds1

About 3-cyclohexyl-2-methyl-6-(trifluoromethyl)pyrimidin-4-one

3-cyclohexyl-2-methyl-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 162542096) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-cyclohexyl-2-methyl-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-2-methyl-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID162542096
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name3-cyclohexyl-2-methyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCc1nc(C(F)(F)F)cc(=O)n1C1CCCCC1
InChIInChI=1S/C12H15F3N2O/c1-8-16-10(12(13,14)15)7-11(18)17(8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyLBDJEBLRBZTNPY-UHFFFAOYSA-N
XLogP3.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-methyl-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-cyclohexyl-2-methyl-6-(trifluoromethyl)pyrimidin-4-one (CID 162542096) is 3-cyclohexyl-2-methyl-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-cyclohexyl-2-methyl-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-cyclohexyl-2-methyl-6-(trifluoromethyl)pyrimidin-4-one is Cc1nc(C(F)(F)F)cc(=O)n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-methyl-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is LBDJEBLRBZTNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-8-16-10(12(13,14)15)7-11(18)17(8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3.
What are the key properties of 3-cyclohexyl-2-methyl-6-(trifluoromethyl)pyrimidin-4-one?
3-cyclohexyl-2-methyl-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 260.26 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-methyl-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 162542096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).