(2R)-1-[4-({6-[(2,6-Difluorophenyl)Amino]-4-Pyrimidinyl}Amino)Phenoxy]-3-(Dimethylamino)-2-Propanol

Molecule SVG Image

Properties Simple | Detailed

Formula C21H23F2N5O2
IUPAC Name (2r)-1-[4-[[6-(2,6-difluoroanilino)pyrimidin-4-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol
Molecular Mass 415.436 g·mol−1
Heat of Formation -356.4 ± 16.7 kJ·mol−1
Dipole Moment 4.93 ± 1.08 D
Volume 480.78 Å 3
Surface Area 436.5 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-1-[4-({6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol
  • (2r)-1-[4-[[6-[(2,6-difluorophenyl)amino]-4-pyrimidinyl]amino]phenoxy]-3-dimethylaminopropan-2-ol
  • (2r)-1-[4-[[6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl]amino]phenoxy]-3-dimethylamino-propan-2-ol
  • (2r)-1-[4-[[6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl]amino]phenoxy]-3-dimethylaminopropan-2-ol
  • fcp
InChIKey ZVSBKYYVBCKDBO-OAHLLOKOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C F O N