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

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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
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