Basic information
- CAS
161058-84-0- Standard SMILES
Nc1nc(OCCc2ccccc2)c2[nH]cnc2n1- InChIKey
RSRMQDAEYHBPNN-UHFFFAOYSA-N- Molecular formula
- C13H13N5O
- Average molar mass
- 255.28 g/mol
- Monoisotopic mass
- 255.11201006
Names & identifiers
- Preferred name
- 6-(2-Phenylethoxy)-9H-purin-2-amine
- IUPAC
- 6-(2-phenylethoxy)-7H-purin-2-amine
Names & synonyms
6-(2-phenylethoxy)-9H-purin-2-amine161058-84-0RefChem:104008CHEMBL446625O6-Substituted Guanine Deriv. 36BDBM5496DTXSID5012952356-(2-phenylethoxy)-7H-purin-2-amine
Database identifiers
- CAS
161058-84-0- PubChem CID
- 5329520
- DTXSID
DTXSID501295235- ChEMBL
CHEMBL446625- Nikkaji
- J1.446.704A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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