2-(4-methoxy-6-methylpyrimidin-2-yl)ethan-1-amine hydrochloride

• ChemBase ID: 815523
• Molecular Formular: C8H14ClN3O
• Molecular Mass: 203.66926
• Monoisotopic Mass: 203.08253976
• SMILES: Cl.C(Cc1nc(cc(n1)C)OC)N
• Canonical SMILES: NCCc1nc(OC)cc(n1)C.Cl
• InChI: InChI=1S/C8H13N3O.ClH/c1-6-5-8(12-2)11-7(10-6)3-4-9;/h5H,3-4,9H2,1-2H3;1H
• InChIKey: UIVPDTCNKBUCIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxy-6-methylpyrimidin-2-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(4-methoxy-6-methylpyrimidin-2-yl)ethanamine hydrochloride
• Synonyms: 2-(4-methoxy-6-methylpyrimidin-2-yl)ethanamine hydrochloride

Database IDs

• CAS Number: 1196151-19-5

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.6646936
• LogD (pH = 7.4): -1.5052086
• Log P: 0.46702877
• Molar Refractivity: 46.774 cm^3
• Polarizability: 17.958055 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%