Aditoprim

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Properties Simple | Detailed

Formula C15H21N5O2
IUPAC Name 5-[[4-(dimethylamino)-3,5-dimethoxy-phenyl]methyl]pyrimidine-2,4-diamine
Molecular Mass 303.360 g·mol−1
Heat of Formation -122.9 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 369.11 Å 3
Surface Area 324.03 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-diamino-5-(4-(dimethylamino)-3,5-dimethoxybenzyl)pyrimidine
  • 2,4-pyrimidinediamine, 5-((4-(dimethylamino)-3,5-dimethoxyphenyl)methyl)-
  • 5-((4-(dimethylamino)-3,5-dimethoxyphenyl)methyl)-2,4-pyrimidinediamine
  • 5-[(4-dimethylamino-3,5-dimethoxy-phenyl)methyl]pyrimidine-2,4-diamine
  • 5-[(4-dimethylamino-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
  • [4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxy-phenyl]-dimethyl-amine
  • aditoprima [spanish]
  • aditoprimum [latin]
CAS Number(s)
  • 56066-63-8
InChIKey QBQMXWZTRRWPGK-UHFFFAOYSA-N
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