4-hydrazinyl-5,6-dimethyl-2-(pyridin-2-yl)pyrimidine

• ChemBase ID: 271809
• Molecular Formular: C11H13N5
• Molecular Mass: 215.25442
• Monoisotopic Mass: 215.11709544
• SMILES: n1c(nc(c(c1NN)C)C)c1ncccc1
• Canonical SMILES: NNc1nc(nc(c1C)C)c1ccccn1
• InChI: InChI=1S/C11H13N5/c1-7-8(2)14-11(15-10(7)16-12)9-5-3-4-6-13-9/h3-6H,12H2,1-2H3,(H,14,15,16)
• InChIKey: DGDLMEXYUFJZTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-5,6-dimethyl-2-(pyridin-2-yl)pyrimidine
• IUPAC Traditional name: 4-hydrazinyl-5,6-dimethyl-2-(pyridin-2-yl)pyrimidine
• Synonyms: 4-hydrazino-5,6-dimethyl-2-pyridin-2-ylpyrimidine

Database IDs

• MDL Number: MFCD16727078
• PubChem SID: 164327719
• PubChem CID: 50987621

CALCULATED PROPERTIES

• Acid pKa: 19.766191
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.1914802
• LogD (pH = 7.4): 2.216707
• Log P: 2.217038
• Molar Refractivity: 75.2574 cm^3
• Polarizability: 24.01313 Å^3
• Polar Surface Area: 76.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182 - 184°C
• Hydrophobicity(logP): 1.591

Product Information

• Purity: 95%