4-[6-[(2R)-butan-2-yl]-2-(trifluoromethyl)pyrimidin-4-yl]oxycyclohexan-1-one

C15H19F3N2O2 — CID 71263741

IUPAC4-[6-[(2R)-butan-2-yl]-2-(trifluoromethyl)pyrimidin-4-yl]oxycyclohexan-1-one
SMILESCC[C@@H](C)c1cc(OC2CCC(=O)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C15H19F3N2O2/c1-3-9(2)12-8-13(20-14(19-12)15(16,17)18)22-11-6-4-10(21)5-7-11/h8-9,11H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyLOXYQUSWMLYRNF-SECBINFHSA-N
MW316.32 g/mol
LogP3.90
Rot. Bonds4

About 4-[6-[(2R)-butan-2-yl]-2-(trifluoromethyl)pyrimidin-4-yl]oxycyclohexan-1-one

4-[6-[(2R)-butan-2-yl]-2-(trifluoromethyl)pyrimidin-4-yl]oxycyclohexan-1-one (PubChem CID 71263741) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 4-[6-[(2R)-butan-2-yl]-2-(trifluoromethyl)pyrimidin-4-yl]oxycyclohexan-1-one.

Molecular Properties

Compound Name4-[6-[(2R)-butan-2-yl]-2-(trifluoromethyl)pyrimidin-4-yl]oxycyclohexan-1-one
PubChem CID71263741
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name4-[6-[(2R)-butan-2-yl]-2-(trifluoromethyl)pyrimidin-4-yl]oxycyclohexan-1-one
SMILESCC[C@@H](C)c1cc(OC2CCC(=O)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C15H19F3N2O2/c1-3-9(2)12-8-13(20-14(19-12)15(16,17)18)22-11-6-4-10(21)5-7-11/h8-9,11H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyLOXYQUSWMLYRNF-SECBINFHSA-N
XLogP3.90
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[6-[(2R)-butan-2-yl]-2-(trifluoromethyl)pyrimidin-4-yl]oxycyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[6-(2-Hydroxypropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-yl]oxycyclohexan-1-one
CID 71257306
4-[6-[(2S)-1-hydroxypropan-2-yl]-2-(trifluoromethyl)pyrimidin-4-yl]oxycyclohexan-1-one
CID 71257478
4-{[6-(2-Hydroxyethyl)-2-(trifluoromethyl)pyrimidin-4-yl]oxy}cyclohexanone
CID 71257508
4-[6-[(2R)-1-hydroxypropan-2-yl]-2-(trifluoromethyl)pyrimidin-4-yl]oxycyclohexan-1-one
CID 71257538
4-[6-(1-Hydroxy-2-methylpropan-2-yl)-2-(trifluoromethyl)pyrimidin-4-yl]oxycyclohexan-1-one
CID 71257768
4-[6-(1-Hydroxypropyl)-2-(trifluoromethyl)pyrimidin-4-yl]oxycyclohexan-1-one
CID 71258313
4-[6-(2-Hydroxypropyl)-2-(trifluoromethyl)pyrimidin-4-yl]oxycyclohexan-1-one
CID 71258535
4-(1,4-Dioxaspiro[4.5]decan-8-yloxy)-6-propyl-2-(trifluoromethyl)pyrimidine
CID 71263726
4-[2-(Fluoromethyl)-6-(2-hydroxyethyl)pyrimidin-4-yl]oxycyclohexan-1-one
CID 121380740
4-Propan-2-yl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine
CID 122470194
3-[(2R)-2-[6-(4-oxocyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]propoxy]-4-[6-[(2R)-pent-4-en-2-yl]-2-(trifluoromethyl)pyrimidin-4-yl]oxycyclohexan-1-one
CID 144534852
4-[2-(Fluoromethyl)-6-(1-hydroxy-2-methylpropan-2-yl)pyrimidin-4-yl]oxycyclohexan-1-one
CID 144534853

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2R)-butan-2-yl]-2-(trifluoromethyl)pyrimidin-4-yl]oxycyclohexan-1-one?
The IUPAC name of 4-[6-[(2R)-butan-2-yl]-2-(trifluoromethyl)pyrimidin-4-yl]oxycyclohexan-1-one (CID 71263741) is 4-[6-[(2R)-butan-2-yl]-2-(trifluoromethyl)pyrimidin-4-yl]oxycyclohexan-1-one.
What is the SMILES notation for 4-[6-[(2R)-butan-2-yl]-2-(trifluoromethyl)pyrimidin-4-yl]oxycyclohexan-1-one?
The canonical SMILES for 4-[6-[(2R)-butan-2-yl]-2-(trifluoromethyl)pyrimidin-4-yl]oxycyclohexan-1-one is CC[C@@H](C)c1cc(OC2CCC(=O)CC2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-[6-[(2R)-butan-2-yl]-2-(trifluoromethyl)pyrimidin-4-yl]oxycyclohexan-1-one?
The InChIKey is LOXYQUSWMLYRNF-SECBINFHSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-3-9(2)12-8-13(20-14(19-12)15(16,17)18)22-11-6-4-10(21)5-7-11/h8-9,11H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of 4-[6-[(2R)-butan-2-yl]-2-(trifluoromethyl)pyrimidin-4-yl]oxycyclohexan-1-one?
4-[6-[(2R)-butan-2-yl]-2-(trifluoromethyl)pyrimidin-4-yl]oxycyclohexan-1-one has a molecular weight of 316.32 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2R)-butan-2-yl]-2-(trifluoromethyl)pyrimidin-4-yl]oxycyclohexan-1-one is sourced from PubChem (CID 71263741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).