Basic information
- Standard SMILES
COc1ccc(CCN2CCC(Nc3nc4cncnc4n3Cc3ccccn3)CC2)cc1- InChIKey
LAPCEGOTRMNXPF-UHFFFAOYSA-N- Molecular formula
- C25H29N7O
- Average molar mass
- 443.5 g/mol
Names & identifiers
- Preferred name
- N-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-9-(2-pyridinylmethyl)-9H-purin-8-amine
- IUPAC
- N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-9-(pyridin-2-ylmethyl)purin-8-amine
Names & synonyms
SCHEMBL9565053LAPCEGOTRMNXPF-UHFFFAOYSA-NN-[1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]-9-(2-pyridinylmethyl)-9H-purin-8-amine
Database identifiers
- PubChem CID
- 19785338
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 579
Related reactions
2 records
Compound notes
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