6-(2,6-Dichlorophenyl)-2-{[3-(Hydroxymethyl)Phenyl]Amino}-8-Methylpyrido[2,3-D]Pyrimidin-7(8H)-One

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Formula C21H16Cl2N4O2
IUPAC Name 6-(2,6-dichlorophenyl)-2-[3-(hydroxymethyl)anilino]-8-methyl-pyrido[2,3-d]pyrimidine-1,3-diium-4a-id-7-one
Molecular Mass 427.283 g·mol−1
Heat of Formation -45.8 ± 16.7 kJ·mol−1
Dipole Moment 4.02 ± 1.08 D
Volume 464.84 Å 3
Surface Area 395.19 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3-(hydroxymethyl)phenylamino)-6-(2,6-dichlorophenyl)-8-me thylpyrido[2,3-d]pyrimidin-7(8h)-one
  • 6-(2,6-dichlorophenyl)-2-[[3-(hydroxymethyl)phenyl]amino]-8-methyl-7-pyrido[6,5-d]pyrimidinone
  • 6-(2,6-dichlorophenyl)-2-[[3-(hydroxymethyl)phenyl]amino]-8-methyl-pyrido[6,5-d]pyrimidin-7-one
  • 6-(2,6-dichlorophenyl)-2-[[3-(hydroxymethyl)phenyl]amino]-8-methylpyrido[6,5-d]pyrimidin-7-one
  • 6-(2,6-dichlorophenyl)-8-methyl-2-[(3-methylolphenyl)amino]pyrido[6,5-d]pyrimidin-7-one
  • p16
  • pd166326
InChIKey ZIQFYVPVJZEOFS-UHFFFAOYSA-N
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