6-(Phenethylthio)-9-propyl-9H-purin-2-amine
Basic information
- CAS
93017-05-1- Standard SMILES
CCCn1cnc2c(SCCc3ccccc3)nc(N)nc21- InChIKey
ULXUCKDMJRCHFJ-UHFFFAOYSA-N- Molecular formula
- C16H19N5S
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.1361168
Names & identifiers
- Preferred name
- 6-(Phenethylthio)-9-propyl-9H-purin-2-amine
- IUPAC
- 6-(2-phenylethylsulfanyl)-9-propylpurin-2-amine
Names & synonyms
93017-05-1MLS0026671286-(Phenethylthio)-9-propyl-9H-purin-2-amineNSC477776-[(2-phenylethyl)sulfanyl]-9-propyl-9H-purin-2-amineCHEMBL1719674DTXSID20286804HMS3088L18NSC-47777SMR001556900
Database identifiers
- CAS
93017-05-1- PubChem CID
- 240887
- DTXSID
DTXSID20286804- ChEMBL
CHEMBL1719674
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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