1-(2,2-diethoxyethyl)pyrimidine-2,4(1H,3H)-dione
Basic information
- CAS
3054-58-8- Standard SMILES
CCOC(Cn1ccc(=O)[nH]c1=O)OCC- InChIKey
MJWPGDFMTGDCMD-UHFFFAOYSA-N- Molecular formula
- C10H16N2O4
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.111007
Names & identifiers
- Preferred name
- 1-(2,2-diethoxyethyl)pyrimidine-2,4(1H,3H)-dione
- IUPAC
- 1-(2,2-diethoxyethyl)pyrimidine-2,4-dione
Names & synonyms
1-(2,2-diethoxyethyl)pyrimidine-2,4(1H,3H)-dione3054-58-8DTXSID10291462RefChem:222718DTXCID60242606NSC75728Oprea1_712428MLS000712700CHEMBL1448479SCHEMBL17371827HMS1676B13HMS2773A10
Show more names
NSC-75728AKOS000531417SMR000282467DB-126454ST502498181-(2,2-diethoxyethyl)-1,3-dihydropyrimidine-2,4-dione
Database identifiers
- CAS
3054-58-8- PubChem CID
- 253157
- DTXSID
DTXSID10291462- ChEMBL
CHEMBL1448479
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 285
Experimental & physicochemical properties
Solubility>34.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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