Basic information
- Standard SMILES
COCCn1c(I)cc(=O)nc1SC- InChIKey
CMZLPZNHVNVUPE-UHFFFAOYSA-N- Molecular formula
- C8H11IN2O2S
- Average molar mass
- 326.16 g/mol
Names & identifiers
- Preferred name
- 6-Iodo-1-(2-methoxyethyl)-2-(methylthio)pyrimidin-4(1H)-one
- IUPAC
- 6-iodo-1-(2-methoxyethyl)-2-methylsulfanylpyrimidin-4-one
Names & synonyms
SCHEMBL14936037CMZLPZNHVNVUPE-UHFFFAOYSA-NDB-1863576-Iodo-1-(2-methoxyethyl)-2-(methylthio)-4(1h)-pyrimidinone6-Iodo-1-(2-methoxyethyl)-2-(methylthio)pyrimidin-4(1H)-one1435472-87-9
Database identifiers
- PubChem CID
- 86684686
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 291
Related reactions
6 records
Compound notes
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