2,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-methyl-6-(methylthio)-
Basic information
- CAS
125056-71-5- Standard SMILES
CSc1c(C)c(=O)[nH]c(=O)n1COCCO- InChIKey
RCMQIVZCCPUJFH-UHFFFAOYSA-N- Molecular formula
- C9H14N2O4S
- Average molar mass
- 246.29 g/mol
- Monoisotopic mass
- 246.06742811
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-methyl-6-(methylthio)-
- IUPAC
- 1-(2-hydroxyethoxymethyl)-5-methyl-6-methylsulfanylpyrimidine-2,4-dione
Names & synonyms
1-(2OHEtOMe)-6(MeS)T125056-71-52,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-methyl-6-(methylthio)-1-((2-Hydroxyethoxy)methyl)-6-(methylthio)thymine1-[(2-Hydroxyethoxy)methyl]-6-(methylthio)thymine2,4(1H,3H)-Pyrimidinedione, 1-[(2-hydroxyethoxy)methyl]-5-methyl-6-(methylthio)-CHEMBL117519DTXSID901546021-(2-hydroxyethoxymethyl)-5-methyl-6-methylsulfanyl-pyrimidine-2,4-dione1-[(2-Hydroxyethoxy)methyl]-5-methyl-6-(methylsulfanyl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
125056-71-5- PubChem CID
- 452897
- DTXSID
DTXSID90154602- ChEMBL
CHEMBL117519- Nikkaji
- J362.126J
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 329
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Compound notes
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