2-methylpyrimidin-4-amine hydrochloride

• ChemBase ID: 275901
• Molecular Formular: C5H8ClN3
• Molecular Mass: 145.59012
• Monoisotopic Mass: 145.04067495
• SMILES: n1c(ccnc1C)N.Cl
• Canonical SMILES: Nc1ccnc(n1)C.Cl
• InChI: InChI=1S/C5H7N3.ClH/c1-4-7-3-2-5(6)8-4;/h2-3H,1H3,(H2,6,7,8);1H
• InChIKey: YAMGOCCGATVCSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpyrimidin-4-amine hydrochloride
• IUPAC Traditional name: 2-methylpyrimidin-4-amine hydrochloride
• Synonyms: 2-methylpyrimidin-4-amine hydrochloride

Database IDs

• MDL Number: MFCD17012807
• PubChem SID: 164331811
• PubChem CID: 54593909

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6354706
• LogD (pH = 7.4): 0.34350538
• Log P: 0.4003849
• Molar Refractivity: 32.3606 cm^3
• Polarizability: 11.442663 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 227 - 229°C
• Hydrophobicity(logP): 0.175

Product Information

• Purity: 95%