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

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Properties Simple | Detailed

Formula C21H24N6O2
IUPAC Name 5-[4-[benzyl(ethyl)amino]-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine
Molecular Mass 392.454 g·mol−1
Heat of Formation 235.0 ± 16.7 kJ·mol−1
Dipole Moment 5.60 ± 1.08 D
Volume 472.1 Å 3
Surface Area 388.15 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-diamino-5-(4-(n-benzyl-n-ethylamino)-3-nitrophenyl)-6-ethylpyrimidine
  • 2,4-pyrimidinediamine, 6-ethyl-5-(4-(ethyl(phenylmethyl)amino)-3-nitrophenyl)-
  • 2,4-pyrimidinediamine, 6-ethyl-5-[4-[[ethyl(phenylmethyl)] amino]-3-nitrophenyl]-
  • 2,4-pyrimidinediamine, 6-ethyl-5-[4-[ethyl(phenylmethyl)amino]-3-nitrophenyl]-
  • 5-[4-(benzyl-ethyl-amino)-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine
  • 6-ethyl-5-(4-(ethyl(phenylmethyl)amino)-3-nitrophenyl)-2,4-pyrimidinediamine
  • 6-ethyl-5-[4-(ethyl-(phenylmethyl)amino)-3-nitro-phenyl]pyrimidine-2,4-diamine
  • 6-ethyl-5-[4-(ethyl-(phenylmethyl)amino)-3-nitrophenyl]pyrimidine-2,4-diamine
  • benzyl-[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-phenyl]-ethyl-amine
  • ethylbenzoprim
CAS Number(s)
  • 118344-72-2
InChIKey IMIGOGRRRKKZEC-UHFFFAOYSA-N
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