(5-{2-[(2R,6S)-2,6-Dimethyl-4-Morpholinyl]-4-(4-Morpholinyl)Pyrido[2,3-D]Pyrimidin-7-Yl}-2-Methoxyphenyl)Methanol

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Properties Simple | Detailed

Formula C25H31N5O4
IUPAC Name [5-[2-[(2r,6s)-2,6-dimethylmorpholin-4-yl]-4-morpholino-pyrido[2,3-d]pyrimidine-1,3,8-triium-4a-id-7-yl]-2-methoxy-benzene-3-id-1-yl]methanolate
Molecular Mass 465.545 g·mol−1
Heat of Formation -342.4 ± 16.7 kJ·mol−1
Dipole Moment 4.63 ± 1.08 D
Volume 546.43 Å 3
Surface Area 480.51 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
Synonyms
  • [5-[2-[(2r,6s)-2,6-dimethyl-4-morpholinyl]-4-morpholino-7-pyrido[5,6-e]pyrimidinyl]-2-methoxyphenyl]methanol
  • [5-[2-[(2r,6s)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-yl-pyrido[5,6-e]pyrimidin-7-yl]-2-methoxy-phenyl]methanol
  • [5-[2-[(2r,6s)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[5,6-e]pyrimidin-7-yl]-2-methoxyphenyl]methanol
  • [5-[2-[(2r,6s)-2,6-dimethylmorpholin-4-yl]-4-morpholino-pyrido[5,6-e]pyrimidin-7-yl]-2-methoxy-phenyl]methanol
InChIKey RFSMUFRPPYDYRD-CALCHBBNSA-N
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