2-hydrazinyl-4-methylpyrimidine hydrochloride

• ChemBase ID: 55776
• Molecular Formular: C5H9ClN4
• Molecular Mass: 160.60476
• Monoisotopic Mass: 160.05157399
• SMILES: c1(nc(ccn1)C)NN.Cl
• Canonical SMILES: Cc1ccnc(n1)NN.Cl
• InChI: InChI=1S/C5H8N4.ClH/c1-4-2-3-7-5(8-4)9-6;/h2-3H,6H2,1H3,(H,7,8,9);1H
• InChIKey: PANSVJMJTJFBBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-4-methylpyrimidine hydrochloride
• IUPAC Traditional name: 2-hydrazinyl-4-methylpyrimidine hydrochloride
• Synonyms: 2-Hydrazino-4-methylpyrimidine hydrochloride

Database IDs

• MDL Number: MFCD19103387
• PubChem SID: 162060539
• PubChem CID: 56773749

CALCULATED PROPERTIES

• Acid pKa: 15.656678
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.43402815
• LogD (pH = 7.4): 0.22716844
• Log P: 0.25153425
• Molar Refractivity: 36.9665 cm^3
• Polarizability: 12.874959 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false