Basic information
- CAS
5444-33-7- Standard SMILES
Cn1ncc2c(N)nc(NCCO)nc21- InChIKey
PCMWUCSZPOCURV-UHFFFAOYSA-N- Molecular formula
- C8H12N6O
- Average molar mass
- 208.22 g/mol
- Monoisotopic mass
- 208.10725903
Names & identifiers
- Preferred name
- 2-((4-Amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)ethanol
- IUPAC
- 2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]ethanol
Names & synonyms
5444-33-72-((4-Amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)ethanolMLS0026386602-[(4-amino-1-methyl-1h-pyrazolo[3,4-d]pyrimidin-6-yl)amino]ethanol2-({4-amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)ethan-1-ol2-[(4-Amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]ethan-1-olHMS3095C18NSC19090CHEMBL1900367DTXSID80280924NSC-19090Ethanol,2-[(4-amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]-
Show more names
SMR001548130DS-010863
Database identifiers
- CAS
5444-33-7- PubChem CID
- 227488
- DTXSID
DTXSID80280924- ChEMBL
CHEMBL1900367
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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