4,6-dimethylpyrimidine-2-sulfonamide

• ChemBase ID: 796275
• Molecular Formular: C6H9N3O2S
• Molecular Mass: 187.21956
• Monoisotopic Mass: 187.04154754
• SMILES: c1c(nc(nc1C)S(=O)(=O)N)C
• Canonical SMILES: Cc1nc(nc(c1)C)S(=O)(=O)N
• InChI: InChI=1S/C6H9N3O2S/c1-4-3-5(2)9-6(8-4)12(7,10)11/h3H,1-2H3,(H2,7,10,11)
• InChIKey: JRDPRXWPTQTRLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethylpyrimidine-2-sulfonamide
• IUPAC Traditional name: 4,6-dimethylpyrimidine-2-sulfonamide
• Synonyms: 4,6-DiMethylpyriMidine-2-sulfonaMide

Database IDs

• CAS Number: 35762-76-6

CALCULATED PROPERTIES

• Acid pKa: 7.723193
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.40500125
• LogD (pH = 7.4): -0.5486199
• Log P: -0.40270743
• Molar Refractivity: 44.0092 cm^3
• Polarizability: 17.459515 Å^3
• Polar Surface Area: 85.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%