N-(4-chloro-5-methylpyrimidin-2-yl)-N-methylmethanesulfonamide

• ChemBase ID: 814617
• Molecular Formular: C7H10ClN3O2S
• Molecular Mass: 235.6912
• Monoisotopic Mass: 235.01822526
• SMILES: CS(=O)(=O)N(C)c1nc(c(cn1)C)Cl
• Canonical SMILES: Cc1cnc(nc1Cl)N(S(=O)(=O)C)C
• InChI: InChI=1S/C7H10ClN3O2S/c1-5-4-9-7(10-6(5)8)11(2)14(3,12)13/h4H,1-3H3
• InChIKey: NSVBRCZWIVZYEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-chloro-5-methylpyrimidin-2-yl)-N-methylmethanesulfonamide
• IUPAC Traditional name: N-(4-chloro-5-methylpyrimidin-2-yl)-N-methylmethanesulfonamide
• Synonyms: N-(4-chloro-5-methylpyrimidin-2-yl)-N-methylmethanesulfonamide

Database IDs

• CAS Number: 779330-98-2

CALCULATED PROPERTIES

• LogD (pH = 5.5): 0.66297996
• LogD (pH = 7.4): 0.66297996
• Log P: 0.66297996
• Molar Refractivity: 55.1555 cm^3
• Polarizability: 21.382116 Å^3
• Polar Surface Area: 63.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0

PROPERTIES

Product Information

• Purity: 98%