4-[(2E)-2-(2-ethoxybenzylidene)hydrazinyl]pyrimidin-2(1H)-one
Basic information
- CAS
797764-25-1- Standard SMILES
CCOc1ccccc1/C=N/Nc1ccnc(=O)[nH]1- InChIKey
TTYPZJBPTAVZEB-OQLLNIDSSA-N- Molecular formula
- C13H14N4O2
- Average molar mass
- 258.28 g/mol
- Monoisotopic mass
- 258.1116757
Names & identifiers
- Preferred name
- 4-[(2E)-2-(2-ethoxybenzylidene)hydrazinyl]pyrimidin-2(1H)-one
- IUPAC
- 6-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
Names & synonyms
MLS001165339CHEMBL3196336DTXSID001332008STK546825AKOS005475312797764-25-1SMR000540059(E)-4-(2-(2-ethoxybenzylidene)hydrazinyl)pyrimidin-2(1H)-one4-[(2E)-2-(2-ethoxybenzylidene)hydrazinyl]pyrimidin-2(1H)-one6-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one6-{(2E)-2-[(2-Ethoxyphenyl)methylidene]hydrazinyl}pyrimidin-2(1H)-one
Database identifiers
- CAS
797764-25-1- PubChem CID
- 9701618
- DTXSID
DTXSID001332008- ChEMBL
CHEMBL3196336
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 403
Experimental & physicochemical properties
Solubility5.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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