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

• ChemBase ID: 270919
• Molecular Formular: C10H11N5
• Molecular Mass: 201.22784
• Monoisotopic Mass: 201.10144538
• SMILES: c1(nc(cc(n1)C)NN)c1ncccc1
• Canonical SMILES: NNc1cc(C)nc(n1)c1ccccn1
• InChI: InChI=1S/C10H11N5/c1-7-6-9(15-11)14-10(13-7)8-4-2-3-5-12-8/h2-6H,11H2,1H3,(H,13,14,15)
• InChIKey: XTKNSXOIFQXANU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16699196
• PubChem SID: 164326829
• PubChem CID: 50987744

CALCULATED PROPERTIES

• Acid pKa: 19.59703
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.678008
• LogD (pH = 7.4): 1.7167151
• Log P: 1.7172312
• Molar Refractivity: 70.2162 cm^3
• Polarizability: 22.248455 Å^3
• Polar Surface Area: 76.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 175 - 177°C
• Hydrophobicity(logP): 1.568

Product Information

• Purity: 95%