2,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-methyl-6-((3-methylphenyl)thio)-
Basic information
- CAS
125056-58-8- Standard SMILES
Cc1cccc(Sc2c(C)c(=O)[nH]c(=O)n2COCCO)c1- InChIKey
GBMQKZSGGJRJQY-UHFFFAOYSA-N- Molecular formula
- C15H18N2O4S
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.09872823
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-methyl-6-((3-methylphenyl)thio)-
- IUPAC
- 1-(2-hydroxyethoxymethyl)-5-methyl-6-(3-methylphenyl)sulfanylpyrimidine-2,4-dione
Names & synonyms
HEPT-M3'-MeHEPT125056-58-8CHEMBL165352,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-methyl-6-((3-methylphenyl)thio)-1-((2-Hydroxyethoxy)methyl)-6-(3-methylphenyl)thio)thymine1-[(2-Hydroxyethoxy)methyl]-6-(3-methylphenyl)thio)thymine2,4(1H,3H)-Pyrimidinedione, 1-[(2-hydroxyethoxy)methyl]-5-methyl-6-[(3-methylphenyl)thio]-SCHEMBL2789609DTXSID40154591BDBM50008339DB-131303
Show more names
1-(2-hydroxyethoxymethyl)-5-methyl-6-(m-tolylsulfanyl)pyrimidine-2,4-dione1-((2-Hydroxyethoxy)methyl)-5-methyl-6-(m-tolylthio)pyrimidine-2,4(1h,3h)-dione1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-m-tolylsulfanyl-1H-pyrimidine-2,4-dione1-[(2-Hydroxyethoxy)methyl]-5-methyl-6-[(3-methylphenyl)sulfanyl]pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
125056-58-8- PubChem CID
- 452671
- DTXSID
DTXSID40154591- ChEMBL
CHEMBL16535- Nikkaji
- J364.119H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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