6-[4-Methyl-1-(2-Pyrimidinylmethyl)-3-Pyrrolidinyl]-1-(Tetrahydro-2H-Pyran-4-Yl)-1,2-Dihydro-4H-Pyrazolo[3,4-D]Pyrimidin-4-One

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Properties Simple | Detailed

Formula C20H25N7O2
IUPAC Name 6-[(1s,3s,4s)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-tetrahydropyran-4-yl-2h-pyrazolo[3,4-d]pyrimidin-4-one
Molecular Mass 395.458 g·mol−1
Heat of Formation 183.6 ± 16.7 kJ·mol−1
Dipole Moment 7.69 ± 1.08 D
Volume 484.07 Å 3
Surface Area 377.61 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 1.76 ± eV
Point Group Symmetry C1
InChIKey ACXPOEVOYNJCHF-CZUORRHYSA-N
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