9-(4-Methoxyphenyl)-9h-purine-2,6-diamine
Basic information
- CAS
49753-42-6- Standard SMILES
COc1ccc(-n2cnc3c(N)nc(N)nc32)cc1- InChIKey
QJNZHIBMALXZSJ-UHFFFAOYSA-N- Molecular formula
- C12H12N6O
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.10725903
Names & identifiers
- Preferred name
- 9-(4-Methoxyphenyl)-9h-purine-2,6-diamine
- IUPAC
- 9-(4-methoxyphenyl)purine-2,6-diamine
- English name
- 9-(4-methoxyphenyl)purine-2,6-diamine
- Molecular formula
- C12H12N6O
- Molecular weight
- 256.26
Names & synonyms
9-(4-methoxyphenyl)-9h-purine-2,6-diamine49753-42-6MLS002667050HMS3088L14NSC46387CHEMBL1704919SCHEMBL28861601DTXSID90286538NSC-46387NCI60_004093SMR0015568239-(4-methoxyphenyl)purine-2,6-diamine
Show more names
9H-Purine-2,6-diamine, 9-(4-methoxyphenyl)-
Database identifiers
- CAS
49753-42-6- PubChem CID
- 240288
- DTXSID
DTXSID90286538- ChEMBL
CHEMBL1704919
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Boiling point
- 599.6 · 599.6±60.0 °C(Predicted)
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- pka
- 5.14 · 5.14±0.10(Predicted)
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Related reactions
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Compound notes
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