2-chloro-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine

C12H15ClF3N3 — CID 114562240

IUPAC2-chloro-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NCC2CCCCC2)nc(Cl)n1
InChIInChI=1S/C12H15ClF3N3/c13-11-18-9(12(14,15)16)6-10(19-11)17-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,17,18,19)
InChIKeyYJLQJCONQKWOQO-UHFFFAOYSA-N
MW293.72 g/mol
LogP4.14
Rot. Bonds3

About 2-chloro-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine

2-chloro-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114562240) has the molecular formula C12H15ClF3N3 and a molecular weight of 293.72 g/mol. Its IUPAC name is 2-chloro-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114562240
Molecular FormulaC12H15ClF3N3
Molecular Weight293.72 g/mol
Exact Mass293.09
IUPAC Name2-chloro-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NCC2CCCCC2)nc(Cl)n1
InChIInChI=1S/C12H15ClF3N3/c13-11-18-9(12(14,15)16)6-10(19-11)17-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,17,18,19)
InChIKeyYJLQJCONQKWOQO-UHFFFAOYSA-N
XLogP4.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine 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-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564036
2-N,4-N-bis(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133334171
N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 171993956
N-(cyclopentylmethyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775333
2-chloro-N-(2-chloroprop-2-enyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 106195552
2-chloro-4-(2-cyclobutylethoxy)-6-(trifluoromethyl)pyrimidine
CID 114157440
N-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 114562262
2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562759
2-chloro-N-(4-methoxybutyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562485
2-chloro-4-cyclopentyloxy-6-(trifluoromethyl)pyrimidine
CID 114561964
2-chloro-N-(3-methylpentan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114174544
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 82460857

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 114562240) is 2-chloro-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(NCC2CCCCC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is YJLQJCONQKWOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3/c13-11-18-9(12(14,15)16)6-10(19-11)17-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,17,18,19).
What are the key properties of 2-chloro-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 293.72 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114562240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).