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
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |