5-{4-[Benzyl(Methyl)Amino]-3-Nitrophenyl}-6-Ethyl-2,4-Pyrimidinediamine

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Properties Simple | Detailed

Formula C20H22N6O2
IUPAC Name 5-[4-[benzyl(methyl)amino]-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine
Molecular Mass 378.428 g·mol−1
Heat of Formation 242.8 ± 16.7 kJ·mol−1
Dipole Moment 4.82 ± 1.08 D
Volume 451.94 Å 3
Surface Area 364.16 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-pyrimidinediamine der.
  • 2,4-pyrimidinediamine, 6-ethyl-5-(4-(methyl(phenylmethyl)amino)-3-nitrophenyl)-
  • 2,4-pyrimidinediamine, 6-ethyl-5-[4-[methyl(phenylmethyl) amino]-3-nitrophenyl]-
  • 2,4-pyrimidinediamine, 6-ethyl-5-[4-[methyl(phenylmethyl)amino]-3-nitrophenyl]-
  • 6-ethyl-5-[4-(methyl-(phenylmethyl)amino)-3-nitro-phenyl]pyrimidine-2,4-diamine
  • 6-ethyl-5-[4-(methyl-(phenylmethyl)amino)-3-nitrophenyl]pyrimidine-2,4-diamine
  • benzyl-[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-phenyl]-methyl-amine
  • methylbenzoprim
  • neuro_000220
CAS Number(s)
  • 118344-71-1
InChIKey NUFNKYNBZYIQDG-UHFFFAOYSA-N
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