1-Cyclopropyl-2-[(4,6-dihydroxypyrimidin-2-YL)thio]ethanone
Basic information
- CAS
337488-30-9- Standard SMILES
O=C(CSc1nc(O)cc(=O)[nH]1)C1CC1- InChIKey
DZNZGIVDYHUEMK-UHFFFAOYSA-N- Molecular formula
- C9H10N2O3S
- Average molar mass
- 226.25 g/mol
- Monoisotopic mass
- 226.04121336
Names & identifiers
- Preferred name
- 1-Cyclopropyl-2-[(4,6-dihydroxypyrimidin-2-YL)thio]ethanone
- IUPAC
- 2-(2-cyclopropyl-2-oxoethyl)sulfanyl-4-hydroxy-1H-pyrimidin-6-one
Names & synonyms
337488-30-91-CYCLOPROPYL-2-[(4,6-DIHYDROXYPYRIMIDIN-2-YL)THIO]ETHANONE1-Cyclopropyl-2-((4,6-dihydroxypyrimidin-2-yl)thio)ethanoneMFCD015973272-(2-cyclopropyl-2-oxoethyl)sulfanyl-4-hydroxy-1H-pyrimidin-6-oneHMS2157A05MLS000108820CHEMBL1587662DTXSID70351379HMS3314G03AKOS000575199SB59361
Show more names
BS-37673SMR000104770ST50250498AG-690/13704152SR-01000494688SR-01000494688-11-Cyclopropyl-2-[(4,6-dihydroxy-2-pyrimidinyl)thio]ethanone2-(4,6-dihydroxypyrimidin-2-ylthio)-1-cyclopropylethan-1-one
Database identifiers
- CAS
337488-30-9- PubChem CID
- 698770
- DTXSID
DTXSID70351379- ChEMBL
CHEMBL1587662
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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