8-(2-methylphenyl)-7H-purin-6-amine
Basic information
- CAS
42447-58-5- Standard SMILES
Cc1ccccc1-c1nc2ncnc(N)c2[nH]1- InChIKey
NEUNNHCRLPJXLT-UHFFFAOYSA-N- Molecular formula
- C12H11N5
- Average molar mass
- 225.25 g/mol
- Monoisotopic mass
- 225.10144537
Names & identifiers
- Preferred name
- 8-(2-methylphenyl)-7H-purin-6-amine
- IUPAC
- 8-(2-methylphenyl)-7H-purin-6-amine
Names & synonyms
42447-58-58-(2-methylphenyl)-7H-purin-6-amineNSC211044SCHEMBL2371811DTXSID90309074NSC-211044
Database identifiers
- CAS
42447-58-5- PubChem CID
- 308922
- DTXSID
DTXSID90309074
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
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Compound notes
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