HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol
2-(4-AMino-1H-pyrazolo[3,4-d]pyriMidin-3-yl)-phenol · 2-(4-amino-2~{H}-pyrazolo[3,4-d]pyrimidin-3-yl)phenol · Phenol, 2-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)- · (6E)-6-(4-amino-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-ylidene)cyclohexa-2,4-dien-1-one
![2-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol molecular structure](/img/chemical/178591237.png)
Identifiers & Physical Properties
| CAS No. | 1092787-78-4 |
|---|---|
| Molecular formula | C11H9N5O |
| Average molar mass | 227.22 g/mol |
| Monoisotopic mass | 227.08070993 g/mol |
| SMILES | Nc1ncnc2[nH]nc(-c3ccccc3O)c12 |
| InChIKey | SPCDTCWCGHTEOV-UHFFFAOYSA-N |
| PubChem CID | 135947977 |
| ChEMBL | CHEMBL1241355 |
Chemical & Physical Properties
| XLogP | 1.1 |
|---|---|
| Topological polar surface area | 101 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 1 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 277 |
| Boiling point | 554.9±45.0 °C(Predicted) |
| Density | 1.540±0.06 g/cm3(Predicted) |
| Solubility | Dimethyl Formamide, Dimethyl Sulfoxide, Methanol |
| pKa (acidity coefficient) | 8.17±0.30(Predicted) |
| Physical state | Solid |
| Color | Brown |
Applications & Uses
Uses
2-(4-AMino-1H-pyrazolo[3,4-d]pyriMidin-3-yl)-phenol is used in the preparation of tyrosine and phosphoinositide kinase inhibitors.