N-[(2-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
Basic information
- CAS
91769-03-8- Standard SMILES
Cc1ccccc1CNc1ncnc2[nH]ncc12- InChIKey
WQLWDJKYTWTMES-UHFFFAOYSA-N- Molecular formula
- C13H13N5
- Average molar mass
- 239.28 g/mol
- Monoisotopic mass
- 239.11709544
Names & identifiers
- Preferred name
- N-[(2-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
- IUPAC
- N-[(2-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
- English name
- N-[(2-methylphenyl)methyl]-2,4,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,10- tetraen-5-amine
- Molecular formula
- C13H13N5
- Molecular weight
- 239.27582
Names & synonyms
91769-03-8NSC25652DTXSID70919534NSC-25652N-[(2-Methylphenyl)methyl]-1,2-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-imineN-[(2-methylphenyl)methyl]-2,4,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,10- tetraen-5-amine
Database identifiers
- CAS
91769-03-8- PubChem CID
- 230581
- DTXSID
DTXSID70919534
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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