Basic information
- CAS
131194-13-3- Standard SMILES
Cc1c(C(O)c2ccccc2)n(COCCO)c(=O)[nH]c1=O- InChIKey
OXQRGDXDFCTKTM-UHFFFAOYSA-N- Molecular formula
- C15H18N2O5
- Average molar mass
- 306.31 g/mol
- Monoisotopic mass
- 306.12157168
Names & identifiers
- Preferred name
- 1-((2-Hydroxyethoxy)methyl)-6-(1-hydroxy-1-phenyl-methyl)thymine
- IUPAC
- 1-(2-hydroxyethoxymethyl)-6-[hydroxy(phenyl)methyl]-5-methylpyrimidine-2,4-dione
Names & synonyms
131194-13-31-(2OHEtOMe)-6(OHBz)T1-((2-Hydroxyethoxy)methyl)-6-(1-hydroxy-1-phenyl-methyl)thymine2,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-6-(hydroxyphenylmethyl)-5-methyl-1-[(2-Hydroxyethoxy)methyl]-6-(1-hydroxy-1-phenyl-methyl)thymine2,4(1H,3H)-Pyrimidinedione, 1-[(2-hydroxyethoxy)methyl]-6-(hydroxyphenylmethyl)-5-methyl-CHEMBL325173DTXSID809271201-(2-hydroxyethoxymethyl)-6-[hydroxy(phenyl)methyl]-5-methyl-pyrimidine-2,4-dione4-Hydroxy-1-[(2-hydroxyethoxy)methyl]-6-[hydroxy(phenyl)methyl]-5-methylpyrimidin-2(1H)-one
Database identifiers
- CAS
131194-13-3- PubChem CID
- 452909
- DTXSID
DTXSID80927120- ChEMBL
CHEMBL325173- Nikkaji
- J362.139A
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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