1,1'-(6-Fluoro-2,4-pyrimidinediyl)bis[hexahydro-1H-azepine]
Basic information
- CAS
188987-73-7- Standard SMILES
Fc1cc(N2CCCCCC2)nc(N2CCCCCC2)n1- InChIKey
LGZIBZCVDODYOB-UHFFFAOYSA-N- Molecular formula
- C16H25FN4
- Average molar mass
- 292.39 g/mol
- Monoisotopic mass
- 292.20632498
Names & identifiers
- Preferred name
- 1,1'-(6-Fluoro-2,4-pyrimidinediyl)bis[hexahydro-1H-azepine]
- IUPAC
- 1-[2-(azepan-1-yl)-6-fluoropyrimidin-4-yl]azepane
Names & synonyms
188987-73-71,1'-(6-Fluoro-2,4-pyrimidinediyl)bis[hexahydro-1H-azepine]Oprea1_530349DTXSID2011904061,1'-(6-Fluoropyrimidine-2,4-diyl)bis(azepane)AG-670/36898043SR-010004020221-[2-(1-azepanyl)-6-fluoro-4-pyrimidinyl]azepaneSR-01000402022-11,1a(2)-(6-Fluoro-2,4-pyrimidinediyl)bis[hexahydro-1H-azepine]
Database identifiers
- CAS
188987-73-7- PubChem CID
- 823693
- DTXSID
DTXSID201190406- Nikkaji
- J834.184B
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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