1-(2,2-Diethoxyethyl)-5-methyl-2,4(1H,3H)-pyrimidinedione
Basic information
- CAS
35016-79-6- Standard SMILES
CCOC(Cn1cc(C)c(=O)[nH]c1=O)OCC- InChIKey
NTEQMAGNJSCEDB-UHFFFAOYSA-N- Molecular formula
- C11H18N2O4
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.12665706
Names & identifiers
- Preferred name
- 1-(2,2-Diethoxyethyl)-5-methyl-2,4(1H,3H)-pyrimidinedione
- IUPAC
- 1-(2,2-diethoxyethyl)-5-methylpyrimidine-2,4-dione
Names & synonyms
35016-79-61-(2,2-diethoxyethyl)-5-methyl-2,4(1H,3H)-pyrimidinedioneRefChem:2227161-(2,2-diethoxyethyl)-5-methylpyrimidine-2,4(1H,3H)-dioneMLS000728807CHEMBL1596074NTEQMAGNJSCEDB-UHFFFAOYSA-NDTXSID201195244HMS2733C08STK7712731-(n1-thyminyl)-2,2-diethoxyethaneAKOS001745956
Show more names
SMR000307085H20056SR-01000091480SR-01000091480-11H-Pyrimidine-2,4-dione, 1-(2,2-diethoxyethyl)-5-methyl-
Database identifiers
- CAS
35016-79-6- PubChem CID
- 712442
- DTXSID
DTXSID201195244- ChEMBL
CHEMBL1596074- Nikkaji
- J664.931I
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 321
Experimental & physicochemical properties
Solubility>36.3 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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