N-(3-{[5-Bromo-2-({3-[(1-Pyrrolidinylcarbonyl)Amino]Phenyl}Amino)-4-Pyrimidinyl]Amino}Propyl)-2,2-Dimethylmalonamide

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Properties Simple | Detailed

Formula C23H31BrN8O3
IUPAC Name n'-[3-[[5-bromo-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidin-4-yl]amino]propyl]-2,2-dimethyl-propanediamide
Molecular Mass 547.448 g·mol−1
Heat of Formation -367.1 ± 16.7 kJ·mol−1
Dipole Moment 4.01 ± 1.08 D
Volume 589.46 Å 3
Surface Area 530.62 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • li8
  • n'-[3-[[5-bromo-2-[[3-(pyrrolidin-1-ylcarbonylamino)phenyl]amino]pyrimidin-4-yl]amino]propyl]-2,2-dimethyl-propanediamide
  • n'-[3-[[5-bromo-2-[[3-(pyrrolidine-1-carbonylamino)phenyl]amino]pyrimidin-4-yl]amino]propyl]-2,2-dimethyl-malonamide
  • n'-[3-[[5-bromo-2-[[3-(pyrrolidine-1-carbonylamino)phenyl]amino]pyrimidin-4-yl]amino]propyl]-2,2-dimethyl-propanediamide
  • n'-[3-[[5-bromo-2-[[3-(pyrrolidine-1-carbonylamino)phenyl]amino]pyrimidin-4-yl]amino]propyl]-2,2-dimethylpropanediamide
  • n'-[3-[[5-bromo-2-[[3-[(oxo-1-pyrrolidinylmethyl)amino]phenyl]amino]-4-pyrimidinyl]amino]propyl]-2,2-dimethylpropanediamide
  • n-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcarbonyl)amino]phenyl}amino)pyrimidin-4-yl]amino}propyl)-2,2-dimethylmalonamide
InChIKey ZNSULAZTNWFKEW-UHFFFAOYSA-N
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