4-hydrazinyl-6-methylpyrimidine

• ChemBase ID: 265388
• Molecular Formular: C5H8N4
• Molecular Mass: 124.14382
• Monoisotopic Mass: 124.07489628
• SMILES: n1c(cc(nc1)C)NN
• Canonical SMILES: Cc1cc(NN)ncn1
• InChI: InChI=1S/C5H8N4/c1-4-2-5(9-6)8-3-7-4/h2-3H,6H2,1H3,(H,7,8,9)
• InChIKey: QZWHXGZANIHORL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-6-methylpyrimidine
• IUPAC Traditional name: 4-hydrazino-6-methylpyrimidine
• Synonyms: 4-hydrazinyl-6-methylpyrimidine

Database IDs

• MDL Number: MFCD12403875
• PubChem SID: 164321298
• PubChem CID: 12465346

CALCULATED PROPERTIES

• Acid pKa: 19.802053
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.17971577
• LogD (pH = 7.4): 0.16049604
• Log P: 0.16720577
• Molar Refractivity: 37.334 cm^3
• Polarizability: 12.870318 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99 - 101°C
• Hydrophobicity(logP): 0.622

Product Information

• Purity: 95%