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Basic information
- Standard SMILES
CCCCOc1nc(N)c2nc(OC)n(CCN)c2n1- InChIKey
UOIVDLLSXZHRQS-UHFFFAOYSA-N- Molecular formula
- C12H20N6O2
- Average molar mass
- 280.33 g/mol
Names & identifiers
- Preferred name
- 9-(2-Aminoethyl)-butoxy-8-methoxy-9H-purin-6-amine
- IUPAC
- 9-(2-aminoethyl)-2-butoxy-8-methoxypurin-6-amine
Names & synonyms
SCHEMBL2389535UOIVDLLSXZHRQS-UHFFFAOYSA-N9-(2-Aminoethyl)-butoxy-8-methoxy-9H-purin-6-amine
Database identifiers
- PubChem CID
- 58942829
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 295
Related reactions
3 records
Compound notes
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