2-hydrazinyl-4,6-dimethylpyrimidine

• ChemBase ID: 18767
• Molecular Formular: C6H10N4
• Molecular Mass: 138.1704
• Monoisotopic Mass: 138.09054634
• SMILES: c1(nc(cc(n1)C)C)NN
• Canonical SMILES: NNc1nc(C)cc(n1)C
• InChI: InChI=1S/C6H10N4/c1-4-3-5(2)9-6(8-4)10-7/h3H,7H2,1-2H3,(H,8,9,10)
• InChIKey: PHTHKSNCQCCOHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-4,6-dimethylpyrimidine
• IUPAC Traditional name: 2-hydrazinyl-4,6-dimethylpyrimidine
• Synonyms: 2-hydrazinyl-4,6-dimethylpyrimidine; 2-hydrazino-4,6-dimethylpyrimidine; (4,6-Dimethyl-pyrimidin-2-yl)-hydrazine; 4,6-Dimethyl-2-hydrazinopyrimidine

Database IDs

• CAS Number: 23906-13-0
• MDL Number: MFCD00094479
• PubChem SID: 160982074
• PubChem CID: 350535

CALCULATED PROPERTIES

• Acid pKa: 15.821194
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.94770586
• LogD (pH = 7.4): 0.257142
• Log P: 0.38290444
• Molar Refractivity: 41.558 cm^3
• Polarizability: 14.634796 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 158 - 160°C
• Partition Coefficient: -0.781
• Hydrophobicity(logP): 1.121

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%