[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-cyclohexylmethanamine

C12H15ClF3N3 — CID 87855769

IUPAC[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-cyclohexylmethanamine
SMILESNC(c1ncc(C(F)(F)F)c(Cl)n1)C1CCCCC1
InChIInChI=1S/C12H15ClF3N3/c13-10-8(12(14,15)16)6-18-11(19-10)9(17)7-4-2-1-3-5-7/h6-7,9H,1-5,17H2
InChIKeyVFLOMAAHCBEOQN-UHFFFAOYSA-N
MW293.72 g/mol
LogP3.73
Rot. Bonds2

About [4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-cyclohexylmethanamine

[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-cyclohexylmethanamine (PubChem CID 87855769) has the molecular formula C12H15ClF3N3 and a molecular weight of 293.72 g/mol. Its IUPAC name is [4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-cyclohexylmethanamine.

Molecular Properties

Compound Name[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-cyclohexylmethanamine
PubChem CID87855769
Molecular FormulaC12H15ClF3N3
Molecular Weight293.72 g/mol
Exact Mass293.09
IUPAC Name[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-cyclohexylmethanamine
SMILESNC(c1ncc(C(F)(F)F)c(Cl)n1)C1CCCCC1
InChIInChI=1S/C12H15ClF3N3/c13-10-8(12(14,15)16)6-18-11(19-10)9(17)7-4-2-1-3-5-7/h6-7,9H,1-5,17H2
InChIKeyVFLOMAAHCBEOQN-UHFFFAOYSA-N
XLogP3.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-cyclohexylmethanamine 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 [4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-cyclohexylmethanamine?
The IUPAC name of [4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-cyclohexylmethanamine (CID 87855769) is [4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-cyclohexylmethanamine.
What is the SMILES notation for [4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-cyclohexylmethanamine?
The canonical SMILES for [4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-cyclohexylmethanamine is NC(c1ncc(C(F)(F)F)c(Cl)n1)C1CCCCC1.
What is the InChIKey of [4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-cyclohexylmethanamine?
The InChIKey is VFLOMAAHCBEOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3/c13-10-8(12(14,15)16)6-18-11(19-10)9(17)7-4-2-1-3-5-7/h6-7,9H,1-5,17H2.
What are the key properties of [4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-cyclohexylmethanamine?
[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-cyclohexylmethanamine has a molecular weight of 293.72 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-cyclohexylmethanamine is sourced from PubChem (CID 87855769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).