5-[3,5-Dimethoxy-4-(Methylsulfanyl)Benzyl]-2,4-Pyrimidinediamine

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Properties Simple | Detailed

Formula C14H18N4O2S
IUPAC Name 5-[(3,5-dimethoxy-4-methylsulfanyl-phenyl)methyl]pyrimidine-2,4-diamine
Molecular Mass 306.383 g·mol−1
Heat of Formation -141.5 ± 16.7 kJ·mol−1
Dipole Moment 1.54 ± 1.08 D
Volume 362.51 Å 3
Surface Area 318.98 Å 2
HOMO Energy -7.91 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-diamino-5-(3,5-dimethoxy-4-(methylthio)benzyl)pyrimidine
  • 2,4-diamino-5-(3,5-dimethoxy-4-methylthiobenzyl)pyrimidine
  • 2,4-pyrimidinediamine, 5-((3,5-dimethoxy-4-(methylthio)phenyl)methyl)-
  • 5-((3,5-dimethoxy-4-(methylthio)phenyl)methyl)-2,4-pyrimidinediamine
  • 5-[(3,5-dimethoxy-4-methylsulfanylphenyl)methyl]pyrimidine-2,4-diamine
  • 5-[[3,5-dimethoxy-4-(methylthio)phenyl]methyl]pyrimidine-2,4-diamine
  • [2-amino-5-[3,5-dimethoxy-4-(methylthio)benzyl]pyrimidin-4-yl]amine
  • d05005
  • he 909
  • methioprim (bacteriostat)
  • metioprim
  • metioprim (usan)
  • ro 12-6995
  • ro 126995
CAS Number(s)
  • 68902-57-8
InChIKey HRZQMMXCASMDBP-UHFFFAOYSA-N
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