7-(4-{2-[(2-Methoxyethyl)Amino]Ethoxy}Phenyl)-5-(3-Methoxyphenyl)-7H-Pyrrolo[2,3-D]Pyrimidin-4-Amine

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Formula C24H27N5O3
IUPAC Name 7-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-ium-4-amine
Molecular Mass 433.503 g·mol−1
Heat of Formation -56.3 ± 16.7 kJ·mol−1
Dipole Moment 3.81 ± 1.08 D
Volume 517.03 Å 3
Surface Area 471.77 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 7-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]-5-(3-methoxyphenyl)-4-pyrrolo[3,2-e]pyrimidinamine
  • [7-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]-5-(3-methoxyphenyl)pyrrolo[3,2-e]pyrimidin-4-yl]amine
InChIKey QTVVTRCTOOWLSI-UHFFFAOYSA-N
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