![1-Methyl-3-[4-(2-pyrimidinyl)-1-piperazinyl]-2,5-pyrrolidinedione](/api/spectrum/94B9rdAGvDN/structure.png?h=300&w=458 "1-Methyl-3-[4-(2-pyrimidinyl)-1-piperazinyl]-2,5-pyrrolidinedione")
| SpectraBase Compound ID | CSEeqBjaoER |
|---|---|
| InChI | InChI=1S/C13H17N5O2/c1-16-11(19)9-10(12(16)20)17-5-7-18(8-6-17)13-14-3-2-4-15-13/h2-4,10H,5-9H2,1H3 |
| InChIKey | GAAKUTTXMFSINO-UHFFFAOYSA-N |
| Mol Weight | 275.31 g/mol |
| Molecular Formula | C13H17N5O2 |
| Exact Mass | 275.138225 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 94B9rdAGvDN |
|---|---|
| Name | 1-Methyl-3-[4-(2-pyrimidinyl)-1-piperazinyl]-2,5-pyrrolidinedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.138224805 u |
| Formula | C13H17N5O2 |
| InChI | InChI=1S/C13H17N5O2/c1-16-11(19)9-10(12(16)20)17-5-7-18(8-6-17)13-14-3-2-4-15-13/h2-4,10H,5-9H2,1H3 |
| InChIKey | GAAKUTTXMFSINO-UHFFFAOYSA-N |
| SMILES | C=1N=C(N2CCN(C3C(N(C(C3)=O)C)=O)CC2)N=CC1 |