Tcmdc-137235

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Formula C17H20N5O2
IUPAC Name 6-[(2,5-dimethoxyphenyl)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-1,3,8-triium-4a-ide-2,4-diamine
Molecular Mass 326.373 g·mol−1
Heat of Formation -5.0 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 378.97 Å 3
Surface Area 340.26 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-diamino-5-methyl-6-(2,5-dimethoxybenzyl)pyrido(2,3-d)pyrimidine
  • 301u74
  • 6-((2,5-dimethoxyphenyl)methyl)-5-methylpyrido(2,3-d)pyrimidine-2,4-diamine
  • 6-(2,5-dimethoxy-benzyl)-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
  • 6-[(2,5-dimethoxyphenyl)methyl]-5-methyl-pyrido[3,2-e]pyrimidine-2,4-diamine
  • 6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine mono(2-hydroxyethanesulfonate)
  • 6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[3,2-e]pyrimidine-2,4-diamine
  • 79483-69-5 (isethionate)
  • [2-amino-6-(2,5-dimethoxybenzyl)-5-methyl-pyrido[3,2-e]pyrimidin-4-yl]amine
  • bw-301u
  • mxa
  • piritrexim
  • piritrexima [spanish]
  • piritreximum [latin]
  • pyrido(2,3-d)pyrimidine-2,4-diamine, 6-((2,5-dimethoxyphenyl)methyl)-5-methyl-
CAS Number(s)
  • 72732-56-0
InChIKey VJXSSYDSOJBUAV-UHFFFAOYSA-N
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