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

C18H18F4N2O — CID 25125147

IUPAC3-(4-fluorophenyl)-6-methyl-2-[3-(trifluoromethyl)cyclohexyl]pyrimidin-4-one
SMILESCc1cc(=O)n(-c2ccc(F)cc2)c(C2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C18H18F4N2O/c1-11-9-16(25)24(15-7-5-14(19)6-8-15)17(23-11)12-3-2-4-13(10-12)18(20,21)22/h5-9,12-13H,2-4,10H2,1H3
InChIKeyOIUDTENZGAOSHM-UHFFFAOYSA-N
MW354.35 g/mol
LogP4.52
Rot. Bonds2

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

3-(4-fluorophenyl)-6-methyl-2-[3-(trifluoromethyl)cyclohexyl]pyrimidin-4-one (PubChem CID 25125147) has the molecular formula C18H18F4N2O and a molecular weight of 354.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-methyl-2-[3-(trifluoromethyl)cyclohexyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-methyl-2-[3-(trifluoromethyl)cyclohexyl]pyrimidin-4-one
PubChem CID25125147
Molecular FormulaC18H18F4N2O
Molecular Weight354.35 g/mol
Exact Mass354.14
IUPAC Name3-(4-fluorophenyl)-6-methyl-2-[3-(trifluoromethyl)cyclohexyl]pyrimidin-4-one
SMILESCc1cc(=O)n(-c2ccc(F)cc2)c(C2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C18H18F4N2O/c1-11-9-16(25)24(15-7-5-14(19)6-8-15)17(23-11)12-3-2-4-13(10-12)18(20,21)22/h5-9,12-13H,2-4,10H2,1H3
InChIKeyOIUDTENZGAOSHM-UHFFFAOYSA-N
XLogP4.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-6-methyl-2-[3-(trifluoromethyl)cyclohexyl]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-methyl-2-[3-(trifluoromethyl)cyclohexyl]pyrimidin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-6-methyl-2-[3-(trifluoromethyl)cyclohexyl]pyrimidin-4-one (CID 25125147) is 3-(4-fluorophenyl)-6-methyl-2-[3-(trifluoromethyl)cyclohexyl]pyrimidin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-6-methyl-2-[3-(trifluoromethyl)cyclohexyl]pyrimidin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-6-methyl-2-[3-(trifluoromethyl)cyclohexyl]pyrimidin-4-one is Cc1cc(=O)n(-c2ccc(F)cc2)c(C2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of 3-(4-fluorophenyl)-6-methyl-2-[3-(trifluoromethyl)cyclohexyl]pyrimidin-4-one?
The InChIKey is OIUDTENZGAOSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O/c1-11-9-16(25)24(15-7-5-14(19)6-8-15)17(23-11)12-3-2-4-13(10-12)18(20,21)22/h5-9,12-13H,2-4,10H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-6-methyl-2-[3-(trifluoromethyl)cyclohexyl]pyrimidin-4-one?
3-(4-fluorophenyl)-6-methyl-2-[3-(trifluoromethyl)cyclohexyl]pyrimidin-4-one has a molecular weight of 354.35 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-methyl-2-[3-(trifluoromethyl)cyclohexyl]pyrimidin-4-one is sourced from PubChem (CID 25125147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).