N-ethyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Basic information
- CAS
5334-50-9- Standard SMILES
CCNc1ncnc2c1cnn2C- InChIKey
USRVGNHEIXGHPP-UHFFFAOYSA-N- Molecular formula
- C8H11N5
- Average molar mass
- 177.21 g/mol
- Monoisotopic mass
- 177.10144537
Names & identifiers
- Preferred name
- N-ethyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
N-ethyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine5334-50-9NSC1427N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amineMLS000622035CHEMBL1370945DTXSID10902985HMS1645L19HMS2709P16NSC-1427STK874080AKOS005610311
Show more names
SMR0003109621H-Pyrazolo[3, 4-(ethylamino)-1-methyl-pyrazolo[3,4-d]pyrimidine, 4-ethylamino-1-methyl-
Database identifiers
- CAS
5334-50-9- PubChem CID
- 219754
- DTXSID
DTXSID10902985- ChEMBL
CHEMBL1370945
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Experimental & physicochemical properties
Solubility25.7 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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