6-Ethyl-5-(4-Fluoro-3-Nitrophenyl)-2,4-Pyrimidinediamine

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Properties Simple | Detailed

Formula C12H12FN5O2
IUPAC Name 6-ethyl-5-(4-fluoro-3-nitro-phenyl)pyrimidine-2,4-diamine
Molecular Mass 277.254 g·mol−1
Heat of Formation -51.4 ± 16.7 kJ·mol−1
Dipole Moment 5.07 ± 1.08 D
Volume 306.23 Å 3
Surface Area 275.14 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 1.54 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-diamino-5-(4-fluoro-3-nitrophenyl)-6-ethylpyrimidine
  • 4'-fluoro-3'-nitropyrimethamine
  • 4-fnpm
  • [2-amino-6-ethyl-5-(4-fluoro-3-nitro-phenyl)pyrimidin-4-yl]amine
CAS Number(s)
  • 113494-35-2
InChIKey WZOOFTLTBYMEDU-UHFFFAOYSA-N
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