(6-methylpyrimidin-4-yl)methanamine

• ChemBase ID: 275389
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: n1cnc(cc1C)CN
• Canonical SMILES: Cc1cc(CN)ncn1
• InChI: InChI=1S/C6H9N3/c1-5-2-6(3-7)9-4-8-5/h2,4H,3,7H2,1H3
• InChIKey: ZYQONZLGCFLFIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methylpyrimidin-4-yl)methanamine
• IUPAC Traditional name: (6-methylpyrimidin-4-yl)methanamine
• Synonyms: (6-methylpyrimidin-4-yl)methanamine

Database IDs

• MDL Number: MFCD11574309
• PubChem SID: 164331299
• PubChem CID: 18727901

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.281388
• LogD (pH = 7.4): -1.6628429
• Log P: -0.61165404
• Molar Refractivity: 35.265 cm^3
• Polarizability: 13.664359 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.861

Product Information

• Purity: 95%