(3R,4S)-1-{6-[3-(Methylsulfonyl)Phenyl]-4-Pyrimidinyl}-4-(2,4,5-Trifluorophenyl)-3-Pyrrolidinamine

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Formula C21H19F3N4O2S
IUPAC Name (1s,3r,4s)-1-[6-(3-methylsulfonylphenyl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
Molecular Mass 448.461 g·mol−1
Heat of Formation -540.2 ± 16.7 kJ·mol−1
Dipole Moment 8.31 ± 1.08 D
Volume 483.3 Å 3
Surface Area 425.38 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s)-1-[6-(3-methylsulfonylphenyl)-4-pyrimidinyl]-4-(2,4,5-trifluorophenyl)-3-pyrrolidinamine
  • (3r,4s)-1-[6-(3-methylsulfonylphenyl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
  • [(3r,4s)-1-[6-(3-mesylphenyl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]amine
  • dli
InChIKey OAWGQHXWGXOUKV-BEFAXECRSA-N
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