4-hydrazinyl-5,6-dimethyl-2-(pyridin-3-yl)pyrimidine

• ChemBase ID: 276836
• Molecular Formular: C11H13N5
• Molecular Mass: 215.25442
• Monoisotopic Mass: 215.11709544
• SMILES: n1c(nc(c(c1NN)C)C)c1cnccc1
• Canonical SMILES: NNc1nc(nc(c1C)C)c1cccnc1
• InChI: InChI=1S/C11H13N5/c1-7-8(2)14-11(15-10(7)16-12)9-4-3-5-13-6-9/h3-6H,12H2,1-2H3,(H,14,15,16)
• InChIKey: RPTLMRBCRJEOOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-5,6-dimethyl-2-(pyridin-3-yl)pyrimidine
• IUPAC Traditional name: 4-hydrazinyl-5,6-dimethyl-2-(pyridin-3-yl)pyrimidine
• Synonyms: 4-hydrazino-5,6-dimethyl-2-pyridin-3-ylpyrimidine

Database IDs

• MDL Number: MFCD16727076
• PubChem SID: 164332746
• PubChem CID: 54594369

CALCULATED PROPERTIES

• Acid pKa: 19.986279
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.6385952
• LogD (pH = 7.4): 1.8269233
• Log P: 1.829925
• Molar Refractivity: 75.6294 cm^3
• Polarizability: 24.006512 Å^3
• Polar Surface Area: 76.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 194 - 196°C
• Hydrophobicity(logP): 1.381

Product Information

• Purity: 95%