5,5-Diethyl-1-methoxy-2,4,6(1H,3H,5H)-pyrimidinetrione
Basic information
- CAS
69125-56-0- Standard SMILES
CCC1(CC)C(=O)NC(=O)N(OC)C1=O- InChIKey
SHTMQKISDQOJGT-UHFFFAOYSA-N- Molecular formula
- C9H14N2O4
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.09535693
Names & identifiers
- Preferred name
- 5,5-Diethyl-1-methoxy-2,4,6(1H,3H,5H)-pyrimidinetrione
- IUPAC
- 5,5-diethyl-1-methoxy-1,3-diazinane-2,4,6-trione
Names & synonyms
5,5-Diethyl-1-methoxy-2,4,6(1H,3H,5H)-pyrimidinetrioneDTXSID10120903669125-56-05,5-Diethyl-1-methoxy-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
69125-56-0- PubChem CID
- 12457828
- DTXSID
DTXSID101209036
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 309
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Compound notes
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