N-methyl-N-{2-[(6-methyl-2-phenylpyrimidin-4-yl)amino]ethyl}methanesulfonamide

• ChemBase ID: 619993
• Molecular Formular: C15H20N4O2S
• Molecular Mass: 320.4099
• Monoisotopic Mass: 320.1306969
• SMILES: S(=O)(=O)(N(CCNc1nc(nc(c1)C)c1ccccc1)C)C
• Canonical SMILES: Cc1cc(NCCN(S(=O)(=O)C)C)nc(n1)c1ccccc1
• InChI: InChI=1S/C15H20N4O2S/c1-12-11-14(16-9-10-19(2)22(3,20)21)18-15(17-12)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,16,17,18)
• InChIKey: MHUBFAOCTGEZFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-{2-[(6-methyl-2-phenylpyrimidin-4-yl)amino]ethyl}methanesulfonamide
• IUPAC Traditional name: N-methyl-N-{2-[(6-methyl-2-phenylpyrimidin-4-yl)amino]ethyl}methanesulfonamide
• Synonyms: N-methyl-N-{2-[(6-methyl-2-phenylpyrimidin-4-yl)amino]ethyl}methanesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.8730712
• LogD (pH = 7.4): 1.6919127
• Log P: 1.7244775
• Molar Refractivity: 99.1235 cm^3
• Polarizability: 34.388794 Å^3
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.84
• LOG S: -3.96
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 5