Basic information
- CAS
131194-01-9- Standard SMILES
Cc1c(OC2CCCCC2)n(COCCO)c(=O)[nH]c1=O- InChIKey
XAYVVJOKXOCCKM-UHFFFAOYSA-N- Molecular formula
- C14H22N2O5
- Average molar mass
- 298.33 g/mol
- Monoisotopic mass
- 298.15287181
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 6-(cyclohexyloxy)-1-((2-hydroxyethoxy)methyl)-5-methyl-
- IUPAC
- 6-cyclohexyloxy-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
Names & synonyms
6CyHexO-1-(2OHEtOMe)T131194-01-92,4(1H,3H)-Pyrimidinedione, 6-(cyclohexyloxy)-1-((2-hydroxyethoxy)methyl)-5-methyl-6-(Cyclohexyloxy)-1-((2-hydroxyethoxy)methyl)thymine2,4(1H,3H)-Pyrimidinedione, 6-(cyclohexyloxy)-1-[(2-hydroxyethoxy)methyl]-5-methyl-6-(Cyclohexyloxy)-1-[(2-hydroxyethoxy)methyl]thymineCHEMBL333086DTXSID901569446-(cyclohexoxy)-1-(2-hydroxyethoxymethyl)-5-methyl-pyrimidine-2,4-dione6-(Cyclohexyloxy)-1-[(2-hydroxyethoxy)methyl]-5-methylpyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
131194-01-9- PubChem CID
- 452902
- DTXSID
DTXSID90156944- ChEMBL
CHEMBL333086- Nikkaji
- J362.132D
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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