4-hydrazinyl-6-methylpyrimidin-2-amine

• ChemBase ID: 77740
• Molecular Formular: C5H9N5
• Molecular Mass: 139.15846
• Monoisotopic Mass: 139.08579531
• SMILES: n1c(nc(cc1C)NN)N
• Canonical SMILES: NNc1cc(C)nc(n1)N
• InChI: InChI=1S/C5H9N5/c1-3-2-4(10-7)9-5(6)8-3/h2H,7H2,1H3,(H3,6,8,9,10)
• InChIKey: MWYPVCMVSYPXBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-6-methylpyrimidin-2-amine
• IUPAC Traditional name: 4-hydrazinyl-6-methylpyrimidin-2-amine
• Synonyms: 2-Amino-4-hydrazino-6-methylpyrimidine

Database IDs

• MDL Number: MFCD01795388
• PubChem SID: 162042609
• PubChem CID: 352688

CALCULATED PROPERTIES

• Acid pKa: 16.931583
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -1.7895365
• LogD (pH = 7.4): -0.50993055
• Log P: 0.017065832
• Molar Refractivity: 41.9804 cm^3
• Polarizability: 14.026516 Å^3
• Polar Surface Area: 89.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant