(4-methoxypyrimidin-2-yl)methanamine hydrochloride

• ChemBase ID: 815484
• Molecular Formular: C6H10ClN3O
• Molecular Mass: 175.6161
• Monoisotopic Mass: 175.05123964
• SMILES: Cl.C(N)c1nc(ccn1)OC
• Canonical SMILES: COc1ccnc(n1)CN.Cl
• InChI: InChI=1S/C6H9N3O.ClH/c1-10-6-2-3-8-5(4-7)9-6;/h2-3H,4,7H2,1H3;1H
• InChIKey: BQRMQVZRLWHORR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxypyrimidin-2-yl)methanamine hydrochloride
• IUPAC Traditional name: (4-methoxypyrimidin-2-yl)methanamine hydrochloride
• Synonyms: (4-methoxypyrimidin-2-yl)methanamine hydrochloride

Database IDs

• CAS Number: 1196154-28-5

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.0775445
• LogD (pH = 7.4): -0.3934956
• Log P: 0.07552055
• Molar Refractivity: 37.4831 cm^3
• Polarizability: 14.434393 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%