5-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione
Basic information
- CAS
57412-58-5- Standard SMILES
O=c1[nH]cc(-c2ncc[nH]2)c(=O)[nH]1- InChIKey
WIJLJNRYFCNFTD-UHFFFAOYSA-N- Molecular formula
- C7H6N4O2
- Average molar mass
- 178.15 g/mol
- Monoisotopic mass
- 178.04907545
Names & identifiers
- Preferred name
- 5-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione
- IUPAC
- 5-(1H-imidazol-2-yl)-1H-pyrimidine-2,4-dione
Names & synonyms
NSC23200157412-58-5SCHEMBL4628075CHEMBL3273108DTXSID70418350NSC-2320015-(1,3-Dihydro-2H-imidazol-2-ylidene)pyrimidine-2,4(3H,5H)-dione
Database identifiers
- CAS
57412-58-5- PubChem CID
- 314509
- DTXSID
DTXSID70418350- ChEMBL
CHEMBL3273108
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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