6-Ethyl-5-[(2S)-1-(3-Methoxypropyl)-2-Phenyl-1,2,3,4-Tetrahydro-7-Quinolinyl]-2,4-Pyrimidinediamine

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Formula C25H31N5O
IUPAC Name 6-ethyl-5-[(1r,2s)-1-(3-methoxypropyl)-2-phenyl-3,4-dihydro-2h-quinolin-7-yl]pyrimidine-2,4-diamine
Molecular Mass 417.547 g·mol−1
Heat of Formation 36.1 ± 16.7 kJ·mol−1
Dipole Moment 4.33 ± 1.08 D
Volume 527.12 Å 3
Surface Area 429.44 Å 2
HOMO Energy -8.03 ± 0.55 eV
LUMO Energy 3.06 ± eV
Point Group Symmetry C1
Synonyms
  • 6-ethyl-5-[(2s)-1-(3-methoxypropyl)-2-phenyl-3,4-dihydro-2h-quinolin-7-yl]pyrimidine-2,4-diamine
  • [2-amino-6-ethyl-5-[(2s)-1-(3-methoxypropyl)-2-phenyl-3,4-dihydro-2h-quinolin-7-yl]pyrimidin-4-yl]amine
  • liy
InChIKey UOYVKYJWAXJTTE-NRFANRHFSA-N
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