(4,6-dimethylpyrimidin-2-yl)methanamine

• ChemBase ID: 306644
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1c(nc(cc1C)C)CN
• Canonical SMILES: NCc1nc(C)cc(n1)C
• InChI: InChI=1S/C7H11N3/c1-5-3-6(2)10-7(4-8)9-5/h3H,4,8H2,1-2H3
• InChIKey: JBZOSEGGQJXUQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4,6-dimethylpyrimidin-2-yl)methanamine
• IUPAC Traditional name: (4,6-dimethylpyrimidin-2-yl)methanamine
• Synonyms: 1-(4,6-dimethylpyrimidin-2-yl)methanamine; (4,6-DIMETHYLPYRIMIDIN-2-YL)METHANAMINE

Database IDs

• CAS Number: 446829-97-6
• MDL Number: MFCD03011604

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1439884
• LogD (pH = 7.4): -0.45022562
• Log P: 0.046685293
• Molar Refractivity: 39.8894 cm^3
• Polarizability: 15.429368 Å^3
• Polar Surface Area: 51.8 Å^2

PROPERTIES

Product Information

• Purity: 98%