Basic information
- CAS
1092787-78-4- Standard SMILES
Nc1ncnc2[nH]nc(-c3ccccc3O)c12- InChIKey
SPCDTCWCGHTEOV-UHFFFAOYSA-N- Molecular formula
- C11H9N5O
- Average molar mass
- 227.22 g/mol
- Monoisotopic mass
- 227.08070993
Names & identifiers
- Preferred name
- 2-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol
- IUPAC
- 2-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol
- English name
- 2-(4-AMino-1H-pyrazolo[3,4-d]pyriMidin-3-yl)-phenol
- Molecular formula
- C11H9N5O
- Molecular weight
- 227.22
Names & synonyms
1092787-78-42-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol2-(4-Amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-phenol2-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol2-{4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenolCHEMBL1241355SCHEMBL27774340SCHEMBL30386850SPCDTCWCGHTEOV-UHFFFAOYSA-NDB-2918132-(4-amino-2~{H}-pyrazolo[3,4-d]pyrimidin-3-yl)phenolPhenol, 2-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-
Show more names
(6E)-6-(4-amino-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-ylidene)cyclohexa-2,4-dien-1-one
Database identifiers
- CAS
1092787-78-4- PubChem CID
- 135947977
- ChEMBL
CHEMBL1241355
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Boiling point
- 554.9 · 554.9±45.0 °C(Predicted)
- Density
- 1.54 · 1.540±0.06 g/cm3(Predicted)
- solubility
- Dimethyl Formamide, Dimethyl Sulfoxide, Methanol
- pka
- 8.17 · 8.17±0.30(Predicted)
- form
- Solid
- color
- Brown
Chemistry & industry
Applications
Uses2-(4-AMino-1H-pyrazolo[3,4-d]pyriMidin-3-yl)-phenol is used in the preparation of tyrosine and phosphoinositide kinase inhibitors.
Suppliers5 total
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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