2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)pyrimidin-4-one

C18H18ClF3N2O — CID 134565357

IUPAC2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)pyrimidin-4-one
SMILESO=c1ccn(CC2CCCCC2)c(-c2cccc(C(F)(F)F)c2Cl)n1
InChIInChI=1S/C18H18ClF3N2O/c19-16-13(7-4-8-14(16)18(20,21)22)17-23-15(25)9-10-24(17)11-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2
InChIKeyHQQLCLWWQIQEKH-UHFFFAOYSA-N
MW370.80 g/mol
LogP5.16
Rot. Bonds3

About 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)pyrimidin-4-one

2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)pyrimidin-4-one (PubChem CID 134565357) has the molecular formula C18H18ClF3N2O and a molecular weight of 370.80 g/mol. Its IUPAC name is 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)pyrimidin-4-one
PubChem CID134565357
Molecular FormulaC18H18ClF3N2O
Molecular Weight370.80 g/mol
Exact Mass370.11
IUPAC Name2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)pyrimidin-4-one
SMILESO=c1ccn(CC2CCCCC2)c(-c2cccc(C(F)(F)F)c2Cl)n1
InChIInChI=1S/C18H18ClF3N2O/c19-16-13(7-4-8-14(16)18(20,21)22)17-23-15(25)9-10-24(17)11-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2
InChIKeyHQQLCLWWQIQEKH-UHFFFAOYSA-N
XLogP5.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.80
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)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

Related Compounds

2-[2-Chloro-3-(trifluoromethyl)phenyl]-1-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134565200
1-Benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]-5-hydroxypyrimidin-4-one
CID 134565208
tert-butyl N-[1-benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]-4-oxopyrimidin-5-yl]-N-methylcarbamate
CID 134565212
1-Benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]-5-methoxypyrimidin-4-one
CID 134565214
1-Benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]-4-oxopyrimidine-5-carboxamide
CID 134565215
5-Amino-1-benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]pyrimidin-4-one
CID 134565218
1-Benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]-4-oxopyrimidine-5-carbonitrile
CID 134565219
2-[2-Chloro-3-(trifluoromethyl)phenyl]-5-methoxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 134565295
5-Bromo-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 134565298
2-[2-Chloro-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134565299
2-[2-Chloro-3-(trifluoromethyl)phenyl]-1-[(3-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134565300
2-[2-Chloro-3-(trifluoromethyl)phenyl]-5-methyl-1-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 134565303

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)pyrimidin-4-one?
The IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)pyrimidin-4-one (CID 134565357) is 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)pyrimidin-4-one.
What is the SMILES notation for 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)pyrimidin-4-one?
The canonical SMILES for 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)pyrimidin-4-one is O=c1ccn(CC2CCCCC2)c(-c2cccc(C(F)(F)F)c2Cl)n1.
What is the InChIKey of 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)pyrimidin-4-one?
The InChIKey is HQQLCLWWQIQEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O/c19-16-13(7-4-8-14(16)18(20,21)22)17-23-15(25)9-10-24(17)11-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2.
What are the key properties of 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)pyrimidin-4-one?
2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)pyrimidin-4-one has a molecular weight of 370.80 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)pyrimidin-4-one is sourced from PubChem (CID 134565357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).