(2S)-1-{4-[(4-Anilino-5-Bromo-2-Pyrimidinyl)Amino]Phenoxy}-3-(Dimethylamino)-2-Propanol

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Properties Simple | Detailed

Formula C21H24BrN5O2
IUPAC Name (2s)-1-[4-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]phenoxy]-3-(dimethylamino)propan-2-ol
Molecular Mass 458.352 g·mol−1
Heat of Formation 40.9 ± 16.7 kJ·mol−1
Dipole Moment 1.15 ± 1.08 D
Volume 494.41 Å 3
Surface Area 446.54 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[4-[[5-bromo-4-(phenylamino)-2-pyrimidinyl]amino]phenoxy]-3-dimethylaminopropan-2-ol
  • (2s)-1-[4-[[5-bromo-4-(phenylamino)pyrimidin-2-yl]amino]phenoxy]-3-dimethylamino-propan-2-ol
  • (2s)-1-[4-[[5-bromo-4-(phenylamino)pyrimidin-2-yl]amino]phenoxy]-3-dimethylaminopropan-2-ol
  • (2s)-1-{4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenoxy}-3-(dimethylamino)propan-2-ol
  • bwp
InChIKey MEIJADBULOETOV-KRWDZBQOSA-N
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Elements H C Br O N