N-[(2-Aminopyrimidine-1,3-Diium-5-Id-5-Yl)Methyl]-5-(2,6-Difluorophenyl)-3-Ethyl-Pyrazolo[1,5-A]Pyrimidin-4-Ium-3-Id-7-Amine

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Properties Simple | Detailed

Formula C19H18F2N7+
IUPAC Name n-[(2-aminopyrimidine-1,3-diium-5-id-5-yl)methyl]-5-(2,6-difluorophenyl)-3-ethyl-pyrazolo[1,5-a]pyrimidin-4-ium-3-id-7-amine
Molecular Mass 382.390 g·mol−1
Heat of Formation 162.6 ± 16.7 kJ·mol−1
Dipole Moment 4.92 ± 1.08 D
Volume 427.88 Å 3
Surface Area 389.16 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
Synonyms
  • (2-aminopyrimidin-5-yl)methyl-[5-(2,6-difluorophenyl)-3-ethyl-1h-pyrazolo[5,1-b]pyrimidin-8-ium-7-yl]amine
  • n-[(2-amino-5-pyrimidinyl)methyl]-5-(2,6-difluorophenyl)-3-ethyl-1h-pyrazolo[5,1-b]pyrimidin-8-ium-7-amine
InChIKey ZAZZFVFBNOFYQO-UHFFFAOYSA-O
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Elements H C F N