5-Chloro-1-((2-hydroxyethoxy)methyl)-6-iodo-2,4(1H,3H)-pyrimidinedione
Basic information
- CAS
121749-86-8- Standard SMILES
O=c1[nH]c(=O)n(COCCO)c(I)c1Cl- InChIKey
APOOKOCAKSTGFR-UHFFFAOYSA-N- Molecular formula
- C7H8ClIN2O4
- Average molar mass
- 346.51 g/mol
- Monoisotopic mass
- 345.92173
Names & identifiers
- Preferred name
- 5-Chloro-1-((2-hydroxyethoxy)methyl)-6-iodo-2,4(1H,3H)-pyrimidinedione
- IUPAC
- 5-chloro-1-(2-hydroxyethoxymethyl)-6-iodopyrimidine-2,4-dione
Names & synonyms
5-Cl-HEIU121749-86-85-Chloro-1-((2-hydroxyethoxy)methyl)-6-iodo-2,4(1H,3H)-pyrimidinedione5-Chloro-1-[(2-hydroxyethoxy)methyl]-6-iodo-2,4(1H,3H)-pyrimidinedioneCHEMBL309388DTXSID501533585-Chloro-1-[(2-hydroxyethoxy)methyl]-6-iodopyrimidine-2,4(1H,3H)-dione5-chloro-1-(2-hydroxyethoxymethyl)-6-iodo-pyrimidine-2,4-dione
Database identifiers
- CAS
121749-86-8- PubChem CID
- 452076
- DTXSID
DTXSID50153358- ChEMBL
CHEMBL309388- Nikkaji
- J253.575K
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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