2-hydrazinyl-6-methylpyrimidin-4-ol

• ChemBase ID: 82108
• Molecular Formular: C5H8N4O
• Molecular Mass: 140.14322
• Monoisotopic Mass: 140.0698109
• SMILES: n1c(cc(nc1NN)C)O
• Canonical SMILES: NNc1nc(C)cc(n1)O
• InChI: InChI=1S/C5H8N4O/c1-3-2-4(10)8-5(7-3)9-6/h2H,6H2,1H3,(H2,7,8,9,10)
• InChIKey: RFKCQKWRFAJRPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-6-methylpyrimidin-4-ol
• IUPAC Traditional name: 2-hydrazinyl-6-methylpyrimidin-4-ol
• Synonyms: 2-Hydrazino-6-methylpyrimidin-4-ol; 2-Hydrazino-6-methyl-pyrimidin-4-ol; 2-hydrazinyl-6-methylpyrimidin-4-ol

Database IDs

• CAS Number: 37893-08-6
• MDL Number: MFCD00193990
• PubChem SID: 162069227
• PubChem CID: 252038

CALCULATED PROPERTIES

• Acid pKa: 12.352886
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.5059456
• LogD (pH = 7.4): 0.53955734
• Log P: 0.54242647
• Molar Refractivity: 39.2609 cm^3
• Polarizability: 13.524768 Å^3
• Polar Surface Area: 84.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 213 - 215°C
• Partition Coefficient: -0.943
• Hydrophobicity(logP): 1.243

Product Information

• Purity: 95%; 95+%