5,6-dimethylpyridin-2-amine

• ChemBase ID: 88248
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: n1c(ccc(c1C)C)N
• Canonical SMILES: Nc1ccc(c(n1)C)C
• InChI: InChI=1S/C7H10N2/c1-5-3-4-7(8)9-6(5)2/h3-4H,1-2H3,(H2,8,9)
• InChIKey: UZAOIPZZPZCFES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethylpyridin-2-amine
• IUPAC Traditional name: 5,6-dimethylpyridin-2-amine
• Synonyms: (5,6-Dimethylpyridin-2-yl)amine; NSC 95996; 2-Amino-5,6-dimethylpyridine; 5,6-Dimethylpyridin-2-amine; 2-Amino-5,6-dimethylpyridine; 6-Amino-2,3-lutidine; 6-Amino-2,3-dimethylpyridine

Database IDs

• CAS Number: 57963-08-3
• MDL Number: MFCD06200777
• PubChem SID: 162075233
• PubChem CID: 262484

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6713585
• LogD (pH = 7.4): 0.52398664
• Log P: 1.1658965
• Molar Refractivity: 38.5477 cm^3
• Polarizability: 14.099671 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane
• Apperance: Light Yellow Low-Melting Solid
• Melting Point: 41-43°C

Safety Information

• Storage Warning: Irritant

REFERENCES

• Hagmann, W., et al.: Bioorg. Med. Chem. Lett., 10, 1975 (2000)