5-{[(2R)-2-Cyclopropyl-7,8-Dimethoxy-2H-Chromen-5-Yl]Methyl}-2,4-Pyrimidinediamine

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Formula C19H22N4O3
IUPAC Name 5-[[(2r)-2-cyclopropyl-7,8-dimethoxy-2h-chromen-5-yl]methyl]pyrimidine-2,4-diamine
Molecular Mass 354.403 g·mol−1
Heat of Formation -122.0 ± 16.7 kJ·mol−1
Dipole Moment 2.30 ± 1.08 D
Volume 419.48 Å 3
Surface Area 359.25 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[[(2r)-2-cyclopropyl-7,8-dimethoxy-2h-chromen-5-yl]methyl]pyrimidine-2,4-diamine
  • [2-amino-5-[[(2r)-2-cyclopropyl-7,8-dimethoxy-2h-chromen-5-yl]methyl]pyrimidin-4-yl]amine
InChIKey HWJPWWYTGBZDEG-AWEZNQCLSA-N
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