Basic information
- CAS
18592-32-0- Standard SMILES
O=C(Nc1c[nH]c(=O)[nH]c1=O)OCc1ccccc1- InChIKey
ARHNFHCCNUXJIK-UHFFFAOYSA-N- Molecular formula
- C12H11N3O4
- Average molar mass
- 261.23 g/mol
- Monoisotopic mass
- 261.07495584
Names & identifiers
- Preferred name
- benzyl N-(2,4-dioxo-1H-pyrimidin-5-yl)carbamate
- IUPAC
- benzyl N-(2,4-dioxo-1H-pyrimidin-5-yl)carbamate
Names & synonyms
MLS00269495818592-32-0NSC89801NCIOpen2_006083CHEMBL1904440DTXSID80940016HMS3085F24NSC-89801SMR001560871Benzyl hydrogen (2,4-dihydroxypyrimidin-5-yl)carbonimidate
Database identifiers
- CAS
18592-32-0- PubChem CID
- 259657
- DTXSID
DTXSID80940016- ChEMBL
CHEMBL1904440
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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