Basic information
- CAS
6971-03-5- Standard SMILES
CCCCN(c1ccccc1)c1ncnc2c1ncn2C- InChIKey
FCKGEZOMTLXZGB-UHFFFAOYSA-N- Molecular formula
- C16H19N5
- Average molar mass
- 281.36 g/mol
- Monoisotopic mass
- 281.16404563
Names & identifiers
- Preferred name
- n-Butyl-9-methyl-n-phenyl-9h-purin-6-amine
- IUPAC
- N-butyl-9-methyl-N-phenylpurin-6-amine
Names & synonyms
6971-03-5n-butyl-9-methyl-n-phenyl-9h-purin-6-amineNSC19653DTXSID10281000NSC-19653
Database identifiers
- CAS
6971-03-5- PubChem CID
- 227697
- DTXSID
DTXSID10281000
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 46.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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