2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-hydroxyethyl)-5-(3-methylbutyl)-
Basic information
- CAS
68160-58-7- Standard SMILES
CC(C)CCC1(CCO)C(=O)NC(=O)NC1=O- InChIKey
IOYSRQARYJTJKK-UHFFFAOYSA-N- Molecular formula
- C11H18N2O4
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.12665706
Names & identifiers
- Preferred name
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-hydroxyethyl)-5-(3-methylbutyl)-
- IUPAC
- 5-(2-hydroxyethyl)-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
Names & synonyms
68160-58-75-(2-hydroxyethyl)-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-hydroxyethyl)-5-(3-methylbutyl)-NCIOpen2_005093DTXSID90329050
Database identifiers
- CAS
68160-58-7- PubChem CID
- 416993
- DTXSID
DTXSID90329050
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 318
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Compound notes
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