| Formula |
C18H21N5O2 |
| IUPAC Name |
2-[[6-[(3r)-3-amino-1-piperidyl]-3-methyl-2,4-dioxo-5h-pyrimidin-1-ium-5-id-1-yl]methyl]benzonitrile |
| Molecular Mass |
339.392 g·mol−1 |
| Heat of Formation |
-99.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.79 ± 1.08 D |
| Volume |
404.2 Å 3 |
| Surface Area |
330.72 Å 2 |
| HOMO Energy |
-9.25 ± 0.55 eV |
| LUMO Energy |
-0.91 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-[[6-[(3r)-3-amino-1-piperidinyl]-3-methyl-2,4-dioxo-1-pyrimidinyl]methyl]benzonitrile
- 2-[[6-[(3r)-3-amino-1-piperidyl]-2,4-diketo-3-methyl-pyrimidin-1-yl]methyl]benzonitrile
- 2-[[6-[(3r)-3-amino-1-piperidyl]-3-methyl-2,4-dioxo-pyrimidin-1-yl]methyl]benzonitrile
- 2-[[6-[(3r)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-pyrimidin-1-yl]methyl]benzonitrile
- 2-[[6-[(3r)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile
|
| InChIKey |
ZSBOMTDTBDDKMP-OAHLLOKOSA-N |
| QR Code |
Generate QR Code |
| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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