3-[(2R)-2-Amino-2-Phenylethyl]-1-(2,6-Difluorobenzyl)-5-(2-Fluoro-3-Methoxyphenyl)-6-Methyl-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C27H24F3N3O3
IUPAC Name 3-[(2r)-2-amino-2-phenyl-ethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-pyrimidine-2,4-dione
Molecular Mass 495.493 g·mol−1
Heat of Formation -773.9 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 557.0 Å 3
Surface Area 417.0 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 2.28 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2r)-2-amino-2-phenyl-ethyl]-1-(2,6-difluorobenzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-pyrimidine-2,4-quinone
  • 3-[(2r)-2-amino-2-phenyl-ethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-pyrimidine-2,4-dione
  • 3-[(2r)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione
InChIKey CJUWBZDJMYYRDG-QFIPXVFZSA-N
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