1-{7-Cyclohexyl-6-[4-(4-Methyl-1-Piperazinyl)Benzyl]-7H-Pyrrolo[2,3-D]Pyrimidin-2-Yl}Methanamine

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Properties Simple | Detailed

Formula C25H35N6
IUPAC Name [7-cyclohexyl-6-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-2-yl]methanamine
Molecular Mass 419.586 g·mol−1
Heat of Formation 244.0 ± 16.7 kJ·mol−1
Dipole Moment 7.81 ± 1.08 D
Volume 534.37 Å 3
Surface Area 424.92 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
InChIKey GCJSOJRPNOWSEH-UHFFFAOYSA-O
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Elements H C N