2-Amino-6-(Trifluoromethyl)Pyrimidin-4-Ol

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Properties Simple | Detailed

Formula C5H5F3N3O+
IUPAC Name 2-amino-6-(trifluoromethyl)pyrimidin-1-ium-3-id-4-one
Molecular Mass 180.108 g·mol−1
Heat of Formation -655.8 ± 16.7 kJ·mol−1
Dipole Moment 6.29 ± 1.08 D
Volume 170.09 Å 3
Surface Area 173.88 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-4-hydroxy-6-(trifluoromethyl)pyrimidine
  • 2-amino-4-hydroxy-6-trifluoromethylpyrimidine
  • 2-amino-6-(trifluoromethyl)-1h-pyrimidin-4-one
  • 2-amino-6-(trifluoromethyl)-4-pyrimidinol
CAS Number(s)
  • 1513-69-5
InChIKey ZEPSVMLZBXDPGU-UHFFFAOYSA-N
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