(5-methylpyrimidin-2-yl)methanamine

• ChemBase ID: 803762
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: C(N)c1ncc(cn1)C
• Canonical SMILES: NCc1ncc(cn1)C
• InChI: InChI=1S/C6H9N3/c1-5-3-8-6(2-7)9-4-5/h3-4H,2,7H2,1H3
• InChIKey: SGSZFTVNOSOSQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methylpyrimidin-2-yl)methanamine
• IUPAC Traditional name: (5-methylpyrimidin-2-yl)methanamine
• Synonyms: (5-METHYLPYRIMIDIN-2-YL)METHANAMINE

Database IDs

• CAS Number: 930272-60-9

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0640686
• LogD (pH = 7.4): -0.36595926
• Log P: 0.14503649
• Molar Refractivity: 35.7476 cm^3
• Polarizability: 13.667141 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%