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

• ChemBase ID: 270918
• Molecular Formular: C11H13N5
• Molecular Mass: 215.25442
• Monoisotopic Mass: 215.11709544
• SMILES: n1c(nc(c(c1NN)C)C)c1ccncc1
• Canonical SMILES: NNc1nc(nc(c1C)C)c1ccncc1
• InChI: InChI=1S/C11H13N5/c1-7-8(2)14-11(15-10(7)16-12)9-3-5-13-6-4-9/h3-6H,12H2,1-2H3,(H,14,15,16)
• InChIKey: VCZLSQPSWBIHSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16727075
• PubChem SID: 164326828
• PubChem CID: 50987620

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.5298586
• LogD (pH = 7.4): 1.824519
• Log P: 1.829925
• Molar Refractivity: 75.6294 cm^3
• Polarizability: 24.004623 Å^3
• Polar Surface Area: 76.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.381

Product Information

• Purity: 95%