Basic information
- CAS
21267-89-0- Standard SMILES
CCN(CC)CCCC(C)n1cnc2c(SC)ncnc21- InChIKey
PEACRLHCXKFYHA-UHFFFAOYSA-N- Molecular formula
- C15H25N5S
- Average molar mass
- 307.5 g/mol
- Monoisotopic mass
- 307.18306699
Names & identifiers
- Preferred name
- N,N-diethyl-4-(6-methylsulfanylpurin-9-yl)pentan-1-amine
- IUPAC
- N,N-diethyl-4-(6-methylsulfanylpurin-9-yl)pentan-1-amine
Names & synonyms
21267-89-0N,N-diethyl-4-(6-methylsulfanylpurin-9-yl)pentan-1-amineDTXSID90329257N,N-Diethyl-4-[6-(methylsulfanyl)-9H-purin-9-yl]pentan-1-amine
Database identifiers
- CAS
21267-89-0- PubChem CID
- 418893
- DTXSID
DTXSID90329257
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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