1-Cyclopentyl-6-{(1R)-1-[3-(2-Pyrimidinyl)-1-Azetidinyl]Ethyl}-1,5-Dihydro-4H-Pyrazolo[3,4-D]Pyrimidin-4-One

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Properties Simple | Detailed

Formula C19H25N7O
IUPAC Name 1-cyclopentyl-6-[(1r)-1-[3-(5h-pyrimidine-1,3-diium-5-id-2-yl)azetidin-1-yl]ethyl]-5h-pyrazolo[3,4-d]pyrimidin-7-ium-3a-id-4-one
Molecular Mass 367.448 g·mol−1
Heat of Formation 281.5 ± 16.7 kJ·mol−1
Dipole Moment 4.68 ± 1.08 D
Volume 435.78 Å 3
Surface Area 380.09 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
InChIKey HJXAXXUTIBEZHT-GFCCVEGCSA-N
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