ethyl 2-hydrazinyl-4-methylpyrimidine-5-carboxylate

• ChemBase ID: 246458
• Molecular Formular: C8H12N4O2
• Molecular Mass: 196.20648
• Monoisotopic Mass: 196.09602564
• SMILES: c1(c(nc(nc1)NN)C)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cnc(nc1C)NN
• InChI: InChI=1S/C8H12N4O2/c1-3-14-7(13)6-4-10-8(12-9)11-5(6)2/h4H,3,9H2,1-2H3,(H,10,11,12)
• InChIKey: VBRMUJGUHAMQNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-hydrazinyl-4-methylpyrimidine-5-carboxylate
• IUPAC Traditional name: ethyl 2-hydrazinyl-4-methylpyrimidine-5-carboxylate
• Synonyms: ethyl 2-hydrazinyl-4-methylpyrimidine-5-carboxylate

Database IDs

• MDL Number: MFCD09878516
• PubChem SID: 164302368
• PubChem CID: 12427976

CALCULATED PROPERTIES

• Acid pKa: 14.630597
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.53235465
• LogD (pH = 7.4): 0.59255856
• Log P: 0.61181915
• Molar Refractivity: 53.7404 cm^3
• Polarizability: 19.195902 Å^3
• Polar Surface Area: 90.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.209

Product Information

• Purity: 95%