Basic information
- Standard SMILES
COCn1c(C)nc(C)c(I)c1=O- InChIKey
FMZXGTROBHVQHY-UHFFFAOYSA-N- Molecular formula
- C8H11IN2O2
- Average molar mass
- 294.09 g/mol
Names & identifiers
- Preferred name
- 5-iodo-3-(methoxymethyl)-2,6-dimethylpyrimidin-4(3H)-one
- IUPAC
- 5-iodo-3-(methoxymethyl)-2,6-dimethylpyrimidin-4-one
Names & synonyms
SCHEMBL2610718FMZXGTROBHVQHY-UHFFFAOYSA-N5-iodo-3-(methoxymethyl)-2,6-dimethylpyrimidin-4(3H)-one
Database identifiers
- PubChem CID
- 67474069
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 297
Related reactions
3 records
Compound notes
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