1H-Purine-2,6-diamine, 8-(((3,4,5-trimethoxyphenyl)amino)methyl)-
Basic information
- CAS
156698-69-0- Standard SMILES
COc1cc(NCc2nc3nc(N)nc(N)c3[nH]2)cc(OC)c1OC- InChIKey
VOUIYXLUJHGZHZ-UHFFFAOYSA-N- Molecular formula
- C15H19N7O3
- Average molar mass
- 345.36 g/mol
- Monoisotopic mass
- 345.15493749
Names & identifiers
- Preferred name
- 1H-Purine-2,6-diamine, 8-(((3,4,5-trimethoxyphenyl)amino)methyl)-
- IUPAC
- 8-[(3,4,5-trimethoxyanilino)methyl]-7H-purine-2,6-diamine
- English name
- 8-[[(3,4,5-trimethoxyphenyl)amino]methyl]-7H-purine-2,6-diamine
- Molecular formula
- C15H19N7O3
- Molecular weight
- 345.36
Names & synonyms
156698-69-08-(((3,4,5-Trimethoxyphenyl)amino)methyl)-9H-purine-2,6-diamine8-[(3,4,5-trimethoxyanilino)methyl]-7H-purine-2,6-diamineCHEMBL1024441H-Purine-2,6-diamine, 8-(((3,4,5-trimethoxyphenyl)amino)methyl)-2,6-Diamino-8-((3',4',5'-trimethoxyanilino)methyl)purine8-{[(3,4,5-trimethoxyphenyl)amino]methyl}-9H-purine-2,6-diamine2,6-Diamino-8-[(3',4',5'-trimethoxyanilino)methyl]purine1H-Purine-2,6-diamine, 8-[[(3,4,5-trimethoxyphenyl)amino]methyl]-DTXSID401661148-[(3,4,5-trimethoxyanilino)methyl]-9H-purine-2,6-diamineBDBM50059925
Show more names
9H-Purine-2,6-diamine, 8-[[(3,4,5-trimethoxyphenyl)amino]methyl]-
8-[[(3,4,5-TRIMETHOXYPHENYL)AMINO]METHYL]-7H-PURINE-2,6-DIAMINE8-[(3,4,5-Trimethoxy-phenylamino)-methyl]-9H-purine-2,6-diamine
Database identifiers
- CAS
156698-69-0- PubChem CID
- 462085
- DTXSID
DTXSID40166114- ChEMBL
CHEMBL102444- Nikkaji
- J877.726H
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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