4-ethyl-6-hydrazinyl-2-(pyridin-2-yl)pyrimidine

• ChemBase ID: 271228
• Molecular Formular: C11H13N5
• Molecular Mass: 215.25442
• Monoisotopic Mass: 215.11709544
• SMILES: c1(nc(cc(n1)CC)NN)c1ncccc1
• Canonical SMILES: CCc1cc(NN)nc(n1)c1ccccn1
• InChI: InChI=1S/C11H13N5/c1-2-8-7-10(16-12)15-11(14-8)9-5-3-4-6-13-9/h3-7H,2,12H2,1H3,(H,14,15,16)
• InChIKey: MHXGBKAHMNOQPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-6-hydrazinyl-2-(pyridin-2-yl)pyrimidine
• IUPAC Traditional name: 4-ethyl-6-hydrazinyl-2-(pyridin-2-yl)pyrimidine
• Synonyms: 4-ethyl-6-hydrazinyl-2-(pyridin-2-yl)pyrimidine

Database IDs

• MDL Number: MFCD16727038
• PubChem SID: 164327138
• PubChem CID: 50987847

CALCULATED PROPERTIES

• Acid pKa: 19.560968
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.3337212
• LogD (pH = 7.4): 2.365777
• Log P: 2.366201
• Molar Refractivity: 74.8431 cm^3
• Polarizability: 24.09131 Å^3
• Polar Surface Area: 76.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 110 - 112°C
• Hydrophobicity(logP): 2.097

Product Information

• Purity: 95%