2,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-6-methoxy-5-methyl-
Basic information
- CAS
131194-00-8- Standard SMILES
COc1c(C)c(=O)[nH]c(=O)n1COCCO- InChIKey
ZGCYJTDWRJBEGZ-UHFFFAOYSA-N- Molecular formula
- C9H14N2O5
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.09027155
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-6-methoxy-5-methyl-
- IUPAC
- 1-(2-hydroxyethoxymethyl)-6-methoxy-5-methylpyrimidine-2,4-dione
Names & synonyms
1-(2OHEtOMe)-6MeOT131194-00-82,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-6-methoxy-5-methyl-1-((2-Hydroxyethoxy)methyl)-6-methoxythymine1-[(2-Hydroxyethoxy)methyl]-6-methoxythymine2,4(1H,3H)-Pyrimidinedione, 1-[(2-hydroxyethoxy)methyl]-6-methoxy-5-methyl-CHEMBL331555DTXSID301569431-(2-hydroxyethoxymethyl)-6-methoxy-5-methyl-pyrimidine-2,4-dione1-[(2-Hydroxyethoxy)methyl]-6-methoxy-5-methylpyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
131194-00-8- PubChem CID
- 452901
- DTXSID
DTXSID30156943- ChEMBL
CHEMBL331555- Nikkaji
- J362.131F
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 326
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Compound notes
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