N2,N6-Bis(4-methoxyphenyl)-9H-purine-2,6-diamine
Basic information
- CAS
791584-51-5- Standard SMILES
COc1ccc(Nc2nc(Nc3ccc(OC)cc3)c3[nH]cnc3n2)cc1- InChIKey
LMJOYWNCVBCMDV-UHFFFAOYSA-N- Molecular formula
- C19H18N6O2
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.14912384
Names & identifiers
- Preferred name
- N2,N6-Bis(4-methoxyphenyl)-9H-purine-2,6-diamine
- IUPAC
- 2-N,6-N-bis(4-methoxyphenyl)-7H-purine-2,6-diamine
Names & synonyms
791584-51-5N2,N6-Bis(4-methoxyphenyl)-9H-purine-2,6-diamineDTXSID80703805N~2~,N~6~-Bis(4-methoxyphenyl)-7H-purine-2,6-diamine
Database identifiers
- CAS
791584-51-5- PubChem CID
- 53471970
- DTXSID
DTXSID80703805- Nikkaji
- J2.990.831A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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