Basic information
- CAS
5399-97-3- Standard SMILES
Cc1[nH]nc2c(NCc3ccco3)ncnc12- InChIKey
PYJQXOQHHSHIDJ-UHFFFAOYSA-N- Molecular formula
- C11H11N5O
- Average molar mass
- 229.24 g/mol
- Monoisotopic mass
- 229.09635999
Names & identifiers
- Preferred name
- N-[(Furan-2-YL)methyl]-3-methyl-2H-pyrazolo[4,3-D]pyrimidin-7-amine
- IUPAC
- N-(furan-2-ylmethyl)-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
Names & synonyms
5399-97-3NSC4945SCHEMBL3237278SCHEMBL3237285DTXSID70277924NSC-4945N-[(FURAN-2-YL)METHYL]-3-METHYL-2H-PYRAZOLO[4,3-D]PYRIMIDIN-7-AMINEpyrazolo[4,3-d]pyrimidine, 7-furfurylamino-3-methyl-Z1980894276
Database identifiers
- CAS
5399-97-3- PubChem CID
- 221102
- DTXSID
DTXSID70277924
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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