5-[(4-hydroxybenzylidene)amino]-2,4(1H,3H)-pyrimidinedione
Basic information
- CAS
5315-28-6- Standard SMILES
O=c1[nH]cc(N=Cc2ccc(O)cc2)c(=O)[nH]1- InChIKey
RBEFJNPJUUWNCC-UHFFFAOYSA-N- Molecular formula
- C11H9N3O3
- Average molar mass
- 231.21 g/mol
- Monoisotopic mass
- 231.06439116
Names & identifiers
- Preferred name
- 5-[(4-hydroxybenzylidene)amino]-2,4(1H,3H)-pyrimidinedione
- IUPAC
- 5-[(4-hydroxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione
Names & synonyms
NSC7207595315-28-65-[(4-hydroxybenzylidene)amino]-2,4(1H,3H)-pyrimidinedione5-(4-hydroxybenzylideneamino)pyrimidine-2,4(1h,3h)-dioneDTXSID20416321NSC-720759AE-848/34435041SR-01000204238SR-01000204238-15-{[(4-Oxocyclohexa-2,5-dien-1-ylidene)methyl]amino}pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
5315-28-6- PubChem CID
- 404522
- DTXSID
DTXSID20416321
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 381
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Compound notes
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