N-(2-chlorocyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine

C11H13ClF3N3 — CID 65029086

IUPACN-(2-chlorocyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NC2CCCCC2Cl)n1
InChIInChI=1S/C11H13ClF3N3/c12-7-3-1-2-4-8(7)17-10-16-6-5-9(18-10)11(13,14)15/h5-8H,1-4H2,(H,16,17,18)
InChIKeyWVNMLCYTWAVGEU-UHFFFAOYSA-N
MW279.69 g/mol
LogP3.46
Rot. Bonds2

About N-(2-chlorocyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine

N-(2-chlorocyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 65029086) has the molecular formula C11H13ClF3N3 and a molecular weight of 279.69 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID65029086
Molecular FormulaC11H13ClF3N3
Molecular Weight279.69 g/mol
Exact Mass279.08
IUPAC NameN-(2-chlorocyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NC2CCCCC2Cl)n1
InChIInChI=1S/C11H13ClF3N3/c12-7-3-1-2-4-8(7)17-10-16-6-5-9(18-10)11(13,14)15/h5-8H,1-4H2,(H,16,17,18)
InChIKeyWVNMLCYTWAVGEU-UHFFFAOYSA-N
XLogP3.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(2-chlorocyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 65029086) is N-(2-chlorocyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-chlorocyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-chlorocyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(NC2CCCCC2Cl)n1.
What is the InChIKey of N-(2-chlorocyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is WVNMLCYTWAVGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3/c12-7-3-1-2-4-8(7)17-10-16-6-5-9(18-10)11(13,14)15/h5-8H,1-4H2,(H,16,17,18).
What are the key properties of N-(2-chlorocyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(2-chlorocyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 279.69 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 65029086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).