N'-(4-hydroxy-6-methylpyrimidin-2-yl)acetohydrazide

• ChemBase ID: 113307
• Molecular Formular: C7H10N4O2
• Molecular Mass: 182.1799
• Monoisotopic Mass: 182.08037558
• SMILES: n1c(nc(cc1O)C)NNC(=O)C
• Canonical SMILES: CC(=O)NNc1nc(C)cc(n1)O
• InChI: InChI=1S/C7H10N4O2/c1-4-3-6(13)9-7(8-4)11-10-5(2)12/h3H,1-2H3,(H,10,12)(H2,8,9,11,13)
• InChIKey: HSQHYGMRVXMHAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(4-hydroxy-6-methylpyrimidin-2-yl)acetohydrazide
• IUPAC Traditional name: N'-(4-hydroxy-6-methylpyrimidin-2-yl)acetohydrazide
• Synonyms: N'-(4-Hydroxy-6-methylpyrimidin-2-yl)acetohydrazide

Database IDs

• MDL Number: MFCD00522220
• PubChem SID: 162098726
• PubChem CID: 227932

CALCULATED PROPERTIES

• Acid pKa: 11.718127
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.24943466
• LogD (pH = 7.4): 0.24943353
• Log P: 0.24945278
• Molar Refractivity: 47.6427 cm^3
• Polarizability: 17.041605 Å^3
• Polar Surface Area: 87.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.522

Product Information

• Purity: 95+%