N~4~-(1-Benzyl-1H-Indazol-5-Yl)-N~6~,N~6~-Dimethylpyrido[3,4-D]Pyrimidine-4,6-Diamine

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Properties Simple | Detailed

Formula C23H21N7
IUPAC Name n4-(1-benzylindazol-1-ium-2-id-5-yl)-n6,n6-dimethyl-pyrido[3,4-d]pyrimidine-4,6-diamine
Molecular Mass 395.460 g·mol−1
Heat of Formation 683.5 ± 16.7 kJ·mol−1
Dipole Moment 6.92 ± 1.08 D
Volume 462.23 Å 3
Surface Area 413.96 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • [1-(benzyl)indazol-5-yl]-(6-dimethylaminopyrido[4,5-e]pyrimidin-4-yl)amine
  • gw2974
  • n',n'-dimethyl-n-[1-(phenylmethyl)-5-indazolyl]pyrido[4,5-e]pyrimidine-4,6-diamine
  • n',n'-dimethyl-n-[1-(phenylmethyl)indazol-5-yl]pyrido[4,5-e]pyrimidine-4,6-diamine
  • n4-(1-benzyl-1h-indazol-5-yl)-n6,n6-dimethyl-pyrido- [3,4-d]- pyrimidine-4,6-diamine
  • smp2_000268
  • smp2_000301
InChIKey DYYZXRCFCVDSKD-UHFFFAOYSA-N
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Elements H C N