2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(ethyl-d5)-5-(phenyl-4-d)-
Basic information
- CAS
13473-55-7- Standard SMILES
[2H]c1ccc(C2(C([2H])([2H])C([2H])([2H])[2H])C(=O)NC(=O)NC2=O)cc1- InChIKey
DDBREPKUVSBGFI-LIDOUZCJSA-N- Molecular formula
- C12H12N2O3
- Average molar mass
- 238.27 g/mol
- Monoisotopic mass
- 238.12245272
Names & identifiers
- Preferred name
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(ethyl-d5)-5-(phenyl-4-d)-
- IUPAC
- 5-(4-deuteriophenyl)-5-(1,1,2,2,2-pentadeuterioethyl)-1,3-diazinane-2,4,6-trione
Names & synonyms
DTXSID7011775982,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(ethyl-d5)-5-(phenyl-4-d)-5-(~2~H_5_)Ethyl-5-(4-~2~H)phenyl-1,3-diazinane-2,4,6-trione13473-55-7
Database identifiers
- CAS
13473-55-7- PubChem CID
- 165352011
- DTXSID
DTXSID701177598
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 339
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Compound notes
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