6-(2,4-Difluorophenoxy)-8-Methyl-2-(Tetrahydro-2H-Pyran-4-Ylamino)Pyrido[2,3-D]Pyrimidin-7(8H)-One

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Properties Simple | Detailed

Formula C19H19F2N4O3
IUPAC Name 6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydropyran-4-ylamino)pyrido[2,3-d]pyrimidine-1,3-diium-4a-id-7-one
Molecular Mass 389.376 g·mol−1
Heat of Formation -572.5 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 427.37 Å 3
Surface Area 375.12 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(2,4-difluorophenoxy)-8-methyl-2-(4-tetrahydropyranylamino)-7-pyrido[6,5-d]pyrimidinone
  • 6-(2,4-difluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[6,5-d]pyrimidin-7-one
  • 6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydropyran-4-ylamino)pyrido[6,5-d]pyrimidin-7-one
InChIKey KKKRKRMVJRHDMG-UHFFFAOYSA-N
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