N-(4-chloro-6-methylpyrimidin-2-yl)-N-methylmethanesulfonamide

• ChemBase ID: 806402
• Molecular Formular: C7H10ClN3O2S
• Molecular Mass: 235.6912
• Monoisotopic Mass: 235.01822526
• SMILES: CS(=O)(=O)N(C)c1nc(cc(n1)C)Cl
• Canonical SMILES: Cc1cc(Cl)nc(n1)N(S(=O)(=O)C)C
• InChI: InChI=1S/C7H10ClN3O2S/c1-5-4-6(8)10-7(9-5)11(2)14(3,12)13/h4H,1-3H3
• InChIKey: ZAYKBGGLSSAGIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-chloro-6-methylpyrimidin-2-yl)-N-methylmethanesulfonamide
• IUPAC Traditional name: N-(4-chloro-6-methylpyrimidin-2-yl)-N-methylmethanesulfonamide
• Synonyms: N-(4-CHLORO-6-METHYLPYRIMIDIN-2-YL)-N-METHYLMETHANESULFONAMIDE

Database IDs

• CAS Number: 1196154-10-5

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.28092876
• LogD (pH = 7.4): 0.28092876
• Log P: 0.28092876
• Molar Refractivity: 54.7058 cm^3
• Polarizability: 21.381445 Å^3
• Polar Surface Area: 63.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%