1-Ethoxy-9-ethyl-1,9-dihydro-6H-purin-6-imine
Basic information
- CAS
13300-27-1- Standard SMILES
CCOn1cnc2c(ncn2CC)c1=N- InChIKey
RIEFWWDODGUODM-UHFFFAOYSA-N- Molecular formula
- C9H13N5O
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.11201006
Names & identifiers
- Preferred name
- 1-Ethoxy-9-ethyl-1,9-dihydro-6H-purin-6-imine
- IUPAC
- 1-ethoxy-9-ethylpurin-6-imine
Names & synonyms
1-Ethoxy-9-ethyl-1,9-dihydro-6H-purin-6-imineDTXSID90125160513300-27-1
Database identifiers
- CAS
13300-27-1- PubChem CID
- 12436652
- DTXSID
DTXSID901251605
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 280
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Compound notes
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