N-[4-Amino-6-(Methylamino)-5-Pyrimidinyl]-N-{(2E)-3-Methyl-5-[(1S,2R,4Ar,8Ar)-1,2,4A,5-Tetramethyl-1,2,3,4,4A,7,8,8A-Octahydro-1-Naphthalenyl]-2-Penten-1-Yl}Formamide
Properties
Property | Value |
---|---|
Formula | C26H41N5O |
IUPAC Name | n-[(e)-5-[(1s,2r,4ar,8ar)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methyl-pent-2-enyl]-n-[4-amino-6-(methylamino)pyrimidin-5-yl]formamide |
Molecular Mass | 439.637 g·mol−1 |
Heat of Formation | -197.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.32 ± 1.08 D |
Volume | 582.6 Å 3 |
Surface Area | 428.91 Å 2 |
HOMO Energy | -8.90 ± 0.55 eV |
LUMO Energy | 2.82 ± eV |
Point Group Symmetry | C1 |
InChIKey | SGKIRYPVJGUSPZ-FGOPRVDBSA-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 |