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

• ChemBase ID: 307043
• Molecular Formular: C8H10F3N3
• Molecular Mass: 205.1803096
• Monoisotopic Mass: 205.082682
• SMILES: C(c1nc(nc(c1)C)CCN)(F)(F)F
• Canonical SMILES: NCCc1nc(C)cc(n1)C(F)(F)F
• InChI: InChI=1S/C8H10F3N3/c1-5-4-6(8(9,10)11)14-7(13-5)2-3-12/h4H,2-3,12H2,1H3
• InChIKey: VASVEIQEERCESN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethan-1-amine
• IUPAC Traditional name: 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethanamine
• Synonyms: 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethanamine

Database IDs

• MDL Number: MFCD09971168

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