6-[(3-methylphenyl)methylsulfanyl]-7H-purin-2-amine
Basic information
- CAS
5526-04-5- Standard SMILES
Cc1cccc(CSc2nc(N)nc3nc[nH]c23)c1- InChIKey
BXJZXAJSTYOXDG-UHFFFAOYSA-N- Molecular formula
- C13H13N5S
- Average molar mass
- 271.34 g/mol
- Monoisotopic mass
- 271.08916661
Names & identifiers
- Preferred name
- 6-[(3-methylphenyl)methylsulfanyl]-7H-purin-2-amine
- IUPAC
- 6-[(3-methylphenyl)methylsulfanyl]-7H-purin-2-amine
Names & synonyms
5526-04-56-[(3-methylphenyl)methylsulfanyl]-7H-purin-2-amineDTXSID80391488NSC514013NSC-5140136-{[(3-Methylphenyl)methyl]sulfanyl}-7H-purin-2-amine
Database identifiers
- CAS
5526-04-5- PubChem CID
- 3327079
- DTXSID
DTXSID80391488
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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