2,4(1H,3H)-Pyrimidinedione, 6-benzoyl-1-((2-hydroxyethoxy)methyl)-5-methyl-
Basic information
- CAS
131194-12-2- Standard SMILES
Cc1c(C(=O)c2ccccc2)n(COCCO)c(=O)[nH]c1=O- InChIKey
MNXHOTLNIMLCRX-UHFFFAOYSA-N- Molecular formula
- C15H16N2O5
- Average molar mass
- 304.3 g/mol
- Monoisotopic mass
- 304.10592162
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 6-benzoyl-1-((2-hydroxyethoxy)methyl)-5-methyl-
- IUPAC
- 6-benzoyl-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
Names & synonyms
6PHCO-1-(2OHEtOMe)T131194-12-22,4(1H,3H)-Pyrimidinedione, 6-benzoyl-1-((2-hydroxyethoxy)methyl)-5-methyl-6-Benzoyl-1-((2-hydroxyethoxy)methyl)thymine2,4(1H,3H)-Pyrimidinedione, 6-benzoyl-1-[(2-hydroxyethoxy)methyl]-5-methyl-6-Benzoyl-1-[(2-hydroxyethoxy)methyl]thymineCHEMBL118454DTXSID901569496-benzoyl-1-(2-hydroxyethoxymethyl)-5-methyl-pyrimidine-2,4-dione6-Benzoyl-1-[(2-hydroxyethoxy)methyl]-5-methylpyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
131194-12-2- PubChem CID
- 452908
- DTXSID
DTXSID90156949- ChEMBL
CHEMBL118454- Nikkaji
- J362.138C
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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