2-(aminomethyl)-N,N-dimethylpyrimidin-4-amine hydrochloride

• ChemBase ID: 815551
• Molecular Formular: C7H13ClN4
• Molecular Mass: 188.65792
• Monoisotopic Mass: 188.08287412
• SMILES: Cl.c1c(nc(nc1)CN)N(C)C
• Canonical SMILES: NCc1nccc(n1)N(C)C.Cl
• InChI: InChI=1S/C7H12N4.ClH/c1-11(2)7-3-4-9-6(5-8)10-7;/h3-4H,5,8H2,1-2H3;1H
• InChIKey: MOKNSDAYMBQNPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(aminomethyl)-N,N-dimethylpyrimidin-4-amine hydrochloride
• IUPAC Traditional name: 2-(aminomethyl)-N,N-dimethylpyrimidin-4-amine hydrochloride
• Synonyms: 2-(aminomethyl)-N,N-dimethylpyrimidin-4-amine hydrochloride

Database IDs

• CAS Number: 1196146-21-0

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.7103521
• LogD (pH = 7.4): -0.017544424
• Log P: 0.47400886
• Molar Refractivity: 45.4485 cm^3
• Polarizability: 16.720854 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%