Basic information
- CAS
61280-40-8- Standard SMILES
O=C1N=C(N2CCCCCC2)NC(=O)C1c1ccccc1- InChIKey
DRFYZIONMBMHMN-UHFFFAOYSA-N- Molecular formula
- C16H19N3O2
- Average molar mass
- 285.34 g/mol
- Monoisotopic mass
- 285.14772686
Names & identifiers
- Preferred name
- 4,6(1H,5H)-Pyrimidinedione, 2-(hexahydro-1H-azepin-1-yl)-5-phenyl-
- IUPAC
- 2-(azepan-1-yl)-5-phenyl-1H-pyrimidine-4,6-dione
- English name
- 2-(Hexahydro-1H-azepin-1-yl)-5-phenylpyrimidine-4,6(1H,5H)-dione
- Molecular formula
- C16H19N3O2
- Molecular weight
- 285.34
Names & synonyms
61280-40-84,6(1H,5H)-Pyrimidinedione, 2-(hexahydro-1H-azepin-1-yl)-5-phenyl-BRN 09219072-(Hexahydro-1H-azepin-1-yl)-5-phenyl-4,6(1H,5H)-pyrimidinedione2-(azepan-1-yl)-5-phenylpyrimidine-4,6(1H,5H)-dioneDTXSID802101802-(Hexahydro-1H-azepin-1-yl)-5-phenylpyrimidine-4,6(1H,5H)-dioneDB-291972
Database identifiers
- CAS
61280-40-8- PubChem CID
- 3045892
- DTXSID
DTXSID80210180- Nikkaji
- J90.430I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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