6-hydrazinylpyrimidin-4-ol

• ChemBase ID: 67581
• Molecular Formular: C4H6N4O
• Molecular Mass: 126.11664
• Monoisotopic Mass: 126.05416083
• SMILES: c1nc(cc(n1)NN)O
• Canonical SMILES: NNc1cc(O)ncn1
• InChI: InChI=1S/C4H6N4O/c5-8-3-1-4(9)7-2-6-3/h1-2H,5H2,(H2,6,7,8,9)
• InChIKey: SOZMLVZVUQOOND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-hydrazinylpyrimidin-4-ol
• IUPAC Traditional name: 6-hydrazinylpyrimidin-4-ol
• Synonyms: 4-Hydroxy-6-hydrazinylpyrimidine; 6-Hydrazino-4-pyrimidinol; 6-Hydrazinyl-4(3H)-pyrimidinone; 4-Hydrazino-6-hydroxypyrimidine

Database IDs

• CAS Number: 29939-37-5
• MDL Number: MFCD02695912
• PubChem SID: 162033316
• PubChem CID: 2331399

CALCULATED PROPERTIES

• Acid pKa: 12.002107
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.31774616
• LogD (pH = 7.4): 0.32660282
• Log P: 0.3267278
• Molar Refractivity: 35.0369 cm^3
• Polarizability: 11.770804 Å^3
• Polar Surface Area: 84.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Water
• Apperance: Yellowish Solid

Safety Information

• Storage Condition: -20°C Freezer
• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%