9-Methyl-8-phenylpurine-6-ylamine
Basic information
- CAS
30720-73-1- Standard SMILES
Cn1c(-c2ccccc2)nc2c(N)ncnc21- InChIKey
AWQBXXOPENTNRG-UHFFFAOYSA-N- Molecular formula
- C12H11N5
- Average molar mass
- 225.25 g/mol
- Monoisotopic mass
- 225.10144537
Names & identifiers
- Preferred name
- 9-Methyl-8-phenylpurine-6-ylamine
- IUPAC
- 9-methyl-8-phenylpurin-6-amine
Names & synonyms
9-Methyl-8-phenyl-9H-purin-6-amine30720-73-19-methyl-8-phenylpurine-6-ylamineCHEMBL4245979-methyl-8-phenyl-purin-6-amineNSC210346SCHEMBL4064829DTXSID40308890AWQBXXOPENTNRG-UHFFFAOYSA-NBDBM50228500NSC-210346DS-006209
Database identifiers
- CAS
30720-73-1- PubChem CID
- 308531
- DTXSID
DTXSID40308890- ChEMBL
CHEMBL424597- Nikkaji
- J331.984I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
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Related reactions
2 records
Compound notes
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