2-(4-methylpyrimidin-2-yl)ethan-1-amine

• ChemBase ID: 803838
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: C(Cc1nc(ccn1)C)N
• Canonical SMILES: NCCc1nccc(n1)C
• InChI: InChI=1S/C7H11N3/c1-6-3-5-9-7(10-6)2-4-8/h3,5H,2,4,8H2,1H3
• InChIKey: PPDHUPNJRYGEHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methylpyrimidin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4-methylpyrimidin-2-yl)ethanamine
• Synonyms: 2-(4-METHYLPYRIMIDIN-2-YL)ETHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.09685
• LogD (pH = 7.4): -1.9519709
• Log P: 0.0367378
• Molar Refractivity: 39.9973 cm^3
• Polarizability: 15.432331 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%