1H-Purine-2,6-dione, 3,7-dihydro-1-(2-(4-aminophenyl)ethyl)-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3-propyl-
Basic information
- CAS
149741-43-5- Standard SMILES
CCCn1c(=O)n(CCc2ccc(N)cc2)c(=O)c2[nH]c(C34CC5CC(CC3C5)C4)nc21- InChIKey
LLGYAEHPYWPLEC-UHFFFAOYSA-N- Molecular formula
- C25H31N5O2
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.24777525
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-1-(2-(4-aminophenyl)ethyl)-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3-propyl-
- IUPAC
- 1-[2-(4-aminophenyl)ethyl]-3-propyl-8-(3-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione
Names & synonyms
1-(4-Aminophenethyl)-8-(3-noradamantyl)-3-propylxanthine149741-43-51H-Purine-2,6-dione, 3,7-dihydro-1-(2-(4-aminophenyl)ethyl)-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3-propyl-RefChem:239571SCHEMBL8392964DTXSID809337211-[2-(4-Aminophenyl)ethyl]-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3-propyl-3,9-dihydro-1H-purine-2,6-dione
Database identifiers
- CAS
149741-43-5- PubChem CID
- 3073501
- DTXSID
DTXSID80933721
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 95.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 751
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Compound notes
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