| Formula |
C25H27N5O2 |
| IUPAC Name |
1-[[4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-ium-3-id-7-yl]phenyl]methyl]piperidin-4-ol |
| Molecular Mass |
429.514 g·mol−1 |
| Heat of Formation |
62.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.40 ± 1.08 D |
| Volume |
515.59 Å 3 |
| Surface Area |
445.32 Å 2 |
| HOMO Energy |
-8.37 ± 0.55 eV |
| LUMO Energy |
2.54 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 1-[4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]benzyl]piperidin-4-ol
- 1-[[4-[4-amino-5-(3-methoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]phenyl]methyl]-4-piperidinol
- 1-{4-[4-amino-5-(3-methoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-7-yl]benzyl}piperidin-4-ol
- s03
|
| InChIKey |
WUYMUVBIVVABRN-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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