2-{[(2-Amino-5-Pyrimidinyl)Methyl]Amino}-4-(4-Morpholinyl)-5-Nitrobenzamide

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Properties Simple | Detailed

Formula C16H19N7O4
IUPAC Name 2-[(2-aminopyrimidin-5-yl)methylamino]-4-morpholino-5-nitro-benzamide
Molecular Mass 373.367 g·mol−1
Heat of Formation -110.7 ± 16.7 kJ·mol−1
Dipole Moment 5.89 ± 1.08 D
Volume 412.57 Å 3
Surface Area 366.99 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 2.31 ± eV
Point Group Symmetry C1
InChIKey HIONZGBUTNQAJK-UHFFFAOYSA-N
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