5-(Aminomethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
Basic information
- CAS
5160-56-5- Standard SMILES
N=Cc1c(O)n(-c2ccccc2)c(=O)[nH]c1=O- InChIKey
VGLKRPDBHGANKK-UHFFFAOYSA-N- Molecular formula
- C11H9N3O3
- Average molar mass
- 231.21 g/mol
- Monoisotopic mass
- 231.06439116
Names & identifiers
- Preferred name
- 5-(Aminomethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
- IUPAC
- 6-hydroxy-5-methanimidoyl-1-phenylpyrimidine-2,4-dione
Names & synonyms
5160-56-5NSC1490535-(aminomethylidene)-1-phenyl-1,3-diazinane-2,4,6-trioneDTXSID90425708AKOS000437299NSC-149053
Database identifiers
- CAS
5160-56-5- PubChem CID
- 288289
- DTXSID
DTXSID90425708
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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