2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-(1-oxopropoxy)-5-(1-phenylethyl)-
Basic information
- CAS
37431-40-6- Standard SMILES
CCC(=O)OC1(C(C)c2ccccc2)C(=O)N(C)C(=O)N(C)C1=O- InChIKey
MJRCRPBSITUCBV-UHFFFAOYSA-N- Molecular formula
- C17H20N2O5
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.13722174
Names & identifiers
- Preferred name
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-(1-oxopropoxy)-5-(1-phenylethyl)-
- IUPAC
- [1,3-dimethyl-2,4,6-trioxo-5-(1-phenylethyl)-1,3-diazinan-5-yl] propanoate
Names & synonyms
37431-40-62,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-(1-oxopropoxy)-5-(1-phenylethyl)-RefChem:1059586BRN 07655171,3-Dimethyl-5-(1-oxopropoxy)-5-(1-phenylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrioneDTXSID909585211,3-DIMETHYL-2,4,6-TRIOXO-5-(1-PHENYLETHYL)-1,3-DIAZINAN-5-YL PROPANOATE
Database identifiers
- CAS
37431-40-6- PubChem CID
- 216563
- DTXSID
DTXSID90958521
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 529
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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