4-(2-Ethynyl-5-Nitro-3-Furyl)-6-Methyl-2-Pyrimidinamine

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Properties Simple | Detailed

Formula C11H8N4O3
IUPAC Name 4-(2-ethynyl-5-nitro-3-furyl)-6-methyl-pyrimidin-2-amine
Molecular Mass 244.206 g·mol−1
Heat of Formation 345.2 ± 16.7 kJ·mol−1
Dipole Moment 5.56 ± 1.08 D
Volume 270.56 Å 3
Surface Area 260.37 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 1.46 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-4-methyl-6-(2-ethynyl-5-nitrofuryl)pyrimidine
  • 2-pyrimidinamine, 4-(2(or 5)-ethynyl-5(or 2)-nitro-3-furanyl)-6-methyl-
  • 4-(2-ethynyl-5-nitro-furan-3-yl)-6-methyl-pyrimidin-2-amine
  • [4-(2-ethynyl-5-nitro-3-furyl)-6-methyl-pyrimidin-2-yl]amine
CAS Number(s)
  • 72044-87-2
InChIKey VFCSIBYEIWCHSK-UHFFFAOYSA-N
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