Brodimoprim

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Properties Simple | Detailed

Formula C13H15BrN4O2
IUPAC Name 5-[(4-bromo-3,5-dimethoxy-phenyl)methyl]pyrimidine-2,4-diamine
Molecular Mass 339.188 g·mol−1
Heat of Formation -117.4 ± 16.7 kJ·mol−1
Dipole Moment 2.20 ± 1.08 D
Volume 338.82 Å 3
Surface Area 302.71 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-diamino-5-(4-bromo-3,5-dimethoxybenzyl)pyrimidine
  • 2,4-pyrimidinediamine, 5-((4-bromo-3,5-dimethoxyphenyl)methyl)-
  • 5-((4-bromo-3,5-dimethoxyphenyl)methyl)-2,4-pyrimidinediamine
  • 5-[(4-bromo-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
  • [2-amino-5-(4-bromo-3,5-dimethoxy-benzyl)pyrimidin-4-yl]amine
  • bromdimoprim
  • ro 10-5970
  • ro-10-5970
  • unitrim
CAS Number(s)
  • 56518-41-3
InChIKey BFCRRLMMHNLSCP-UHFFFAOYSA-N
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Elements H C O Br N