(2R)-1-[4-({4-[(2,5-Dichlorophenyl)Amino]-2-Pyrimidinyl}Amino)Phenoxy]-3-(Dimethylamino)-2-Propanol

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Properties Simple | Detailed

Formula C21H23Cl2N5O2
IUPAC Name (2r)-1-[4-[[4-(2,5-dichloroanilino)pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol
Molecular Mass 448.346 g·mol−1
Heat of Formation -60.4 ± 16.7 kJ·mol−1
Dipole Moment 2.14 ± 1.08 D
Volume 511.73 Å 3
Surface Area 459.65 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-1-[4-({4-[(2,5-dichlorophenyl)amino]pyrimidin-2-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol
  • (2r)-1-[4-[[4-[(2,5-dichlorophenyl)amino]-2-pyrimidinyl]amino]phenoxy]-3-dimethylaminopropan-2-ol
  • (2r)-1-[4-[[4-[(2,5-dichlorophenyl)amino]pyrimidin-2-yl]amino]phenoxy]-3-dimethylamino-propan-2-ol
  • (2r)-1-[4-[[4-[(2,5-dichlorophenyl)amino]pyrimidin-2-yl]amino]phenoxy]-3-dimethylaminopropan-2-ol
  • fal
InChIKey GNLAGGCSJGJECE-MRXNPFEDSA-N
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