2-hydrazinyl-4-methoxy-6-methylpyrimidine

• ChemBase ID: 285412
• Molecular Formular: C6H10N4O
• Molecular Mass: 154.1698
• Monoisotopic Mass: 154.08546096
• SMILES: n1c(nc(cc1OC)C)NN
• Canonical SMILES: COc1cc(C)nc(n1)NN
• InChI: InChI=1S/C6H10N4O/c1-4-3-5(11-2)9-6(8-4)10-7/h3H,7H2,1-2H3,(H,8,9,10)
• InChIKey: PCHXNQBTDCVAIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-4-methoxy-6-methylpyrimidine
• IUPAC Traditional name: 2-hydrazinyl-4-methoxy-6-methylpyrimidine
• Synonyms: 2-hydrazinyl-4-methoxy-6-methylpyrimidine

Database IDs

• MDL Number: MFCD00600554
• PubChem SID: 180670943
• PubChem CID: 870741

CALCULATED PROPERTIES

• Acid pKa: 15.262644
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.87489563
• LogD (pH = 7.4): 0.440941
• Log P: 0.6883205
• Molar Refractivity: 43.7432 cm^3
• Polarizability: 15.4204 Å^3
• Polar Surface Area: 73.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 116 - 118°C
• Hydrophobicity(logP): 1.578

Product Information

• Purity: 95%