6,7,8,9-Tetrahydro-N-pentyl-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine
Basic information
- CAS
937648-00-5- Standard SMILES
CCCCCNc1ncnc2sc3c(c12)CCCCC3- InChIKey
DWJCXSWFGMVVBQ-UHFFFAOYSA-N- Molecular formula
- C16H23N3S
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.16126892
Names & identifiers
- Preferred name
- 6,7,8,9-Tetrahydro-N-pentyl-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine
- IUPAC
- N-pentyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-amine
Names & synonyms
DTXSID701141911AKOS0002812596,7,8,9-Tetrahydro-N-pentyl-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine937648-00-5N-Pentyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine
Database identifiers
- CAS
937648-00-5- PubChem CID
- 16639595
- DTXSID
DTXSID701141911
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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