(4,6-dimethoxypyrimidin-2-yl)methanamine hydrochloride

• ChemBase ID: 815427
• Molecular Formular: C7H12ClN3O2
• Molecular Mass: 205.64208
• Monoisotopic Mass: 205.06180432
• SMILES: Cl.C(N)c1nc(cc(n1)OC)OC
• Canonical SMILES: COc1cc(OC)nc(n1)CN.Cl
• InChI: InChI=1S/C7H11N3O2.ClH/c1-11-6-3-7(12-2)10-5(4-8)9-6;/h3H,4,8H2,1-2H3;1H
• InChIKey: WOKFDTXGPHFKLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4,6-dimethoxypyrimidin-2-yl)methanamine hydrochloride
• IUPAC Traditional name: (4,6-dimethoxypyrimidin-2-yl)methanamine hydrochloride
• Synonyms: (4,6-dimethoxypyrimidin-2-yl)methanamine hydrochloride

Database IDs

• CAS Number: 1196147-02-0

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.6261874
• LogD (pH = 7.4): 0.051943336
• Log P: 0.5058115
• Molar Refractivity: 44.2598 cm^3
• Polarizability: 16.979383 Å^3
• Polar Surface Area: 70.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%