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

• ChemBase ID: 50874
• Molecular Formular: C7H13Cl2N3
• Molecular Mass: 210.10422
• Monoisotopic Mass: 209.04865279
• SMILES: n1c(nc(cc1C)C)CN.Cl.Cl
• Canonical SMILES: NCc1nc(C)cc(n1)C.Cl.Cl
• InChI: InChI=1S/C7H11N3.2ClH/c1-5-3-6(2)10-7(4-8)9-5;;/h3H,4,8H2,1-2H3;2*1H
• InChIKey: PPWGLUJEIDHAGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4,6-dimethylpyrimidin-2-yl)methanamine dihydrochloride
• IUPAC Traditional name: (4,6-dimethylpyrimidin-2-yl)methanamine dihydrochloride
• Synonyms: C-(4,6-Dimethyl-pyrimidin-2-yl)-methylamine dihydrochloride

Database IDs

• MDL Number: MFCD11841208
• PubChem SID: 162055637
• PubChem CID: 45595255

CALCULATED PROPERTIES

• 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
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false