5-(aminomethyl)-2-methylpyrimidin-4-amine hydrochloride

• ChemBase ID: 294597
• Molecular Formular: C6H11ClN4
• Molecular Mass: 174.63134
• Monoisotopic Mass: 174.06722405
• SMILES: Nc1nc(C)ncc1CN.Cl
• Canonical SMILES: NCc1cnc(nc1N)C.Cl
• InChI: InChI=1S/C6H10N4.ClH/c1-4-9-3-5(2-7)6(8)10-4;/h3H,2,7H2,1H3,(H2,8,9,10);1H
• InChIKey: NFWNCFCJMYPOBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(aminomethyl)-2-methylpyrimidin-4-amine hydrochloride
• IUPAC Traditional name: 5-(aminomethyl)-2-methylpyrimidin-4-amine hydrochloride
• Synonyms: 5-(Aminomethyl)-2-methylpyrimidin-4-amine hydrochloride

Database IDs

• CAS Number: 1195-07-9
• PubChem SID: 180680128
• PubChem CID: 54605743

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.3153434
• LogD (pH = 7.4): -1.5956383
• Log P: -0.4674909
• Molar Refractivity: 40.834 cm^3
• Polarizability: 14.805222 Å^3
• Polar Surface Area: 77.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%