N~8~-(Cyclopropylmethyl)-N~4~-(2-Methylphenyl)-2-(1-Piperazinyl)Pyrimido[5,4-D]Pyrimidine-4,8-Diamine

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Properties Simple | Detailed

Formula C21H26N8
IUPAC Name n8-(cyclopropylmethyl)-n4-(o-tolyl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidine-4,8-diamine
Molecular Mass 390.485 g·mol−1
Heat of Formation 461.9 ± 16.7 kJ·mol−1
Dipole Moment 1.67 ± 1.08 D
Volume 472.95 Å 3
Surface Area 419.13 Å 2
HOMO Energy -7.99 ± 0.55 eV
LUMO Energy 1.39 ± eV
Point Group Symmetry C1
InChIKey YOLJYZUKAHEMMW-UHFFFAOYSA-N
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Elements H C N