2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethan-1-amine hydrochloride

• ChemBase ID: 804062
• Molecular Formular: C8H11ClF3N3
• Molecular Mass: 241.6412496
• Monoisotopic Mass: 241.05935971
• SMILES: Cl.NCCc1nc(cc(n1)C(F)(F)F)C
• Canonical SMILES: NCCc1nc(C)cc(n1)C(F)(F)F.Cl
• InChI: InChI=1S/C8H10F3N3.ClH/c1-5-4-6(8(9,10)11)14-7(13-5)2-3-12;/h4H,2-3,12H2,1H3;1H
• InChIKey: YIEHHGRYWDZLLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethanamine hydrochloride
• Synonyms: (2-[4-METHYL-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]ETHYL)AMINE HYDROCHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8279183
• LogD (pH = 7.4): -0.6676675
• Log P: 1.3021747
• Molar Refractivity: 45.599 cm^3
• Polarizability: 16.675308 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%