5-Chloro-2-ethyl-6-hydroxypyrimidin-4(3h)-one
Basic information
- CAS
1197-31-5- Standard SMILES
CCc1nc(O)c(Cl)c(=O)[nH]1- InChIKey
ZZGRDDIINJOLCK-UHFFFAOYSA-N- Molecular formula
- C6H7ClN2O2
- Average molar mass
- 174.58 g/mol
- Monoisotopic mass
- 174.0196052
Names & identifiers
- Preferred name
- 5-Chloro-2-ethyl-6-hydroxypyrimidin-4(3h)-one
- IUPAC
- 5-chloro-2-ethyl-4-hydroxy-1H-pyrimidin-6-one
Names & synonyms
1197-31-55-chloro-2-ethyl-6-hydroxypyrimidin-4(3h)-oneNSC67801SCHEMBL28126418DTXSID30923071NSC-678015-Chloro-2-ethylpyrimidine-4,6-diol
Database identifiers
- CAS
1197-31-5- PubChem CID
- 249456
- DTXSID
DTXSID30923071
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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