5-(Cyclopent-2-en-1-yl)-5-ethyl-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione
Basic information
- CAS
66940-59-8- Standard SMILES
CCC1(C2C=CCC2)C(=O)NC(=O)N(C)C1=O- InChIKey
XESSARJYTCZOGB-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.11609238
Names & identifiers
- Preferred name
- 5-(Cyclopent-2-en-1-yl)-5-ethyl-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione
- IUPAC
- 5-cyclopent-2-en-1-yl-5-ethyl-1-methyl-1,3-diazinane-2,4,6-trione
- English name
- 5-(2-Cyclopentenyl)-5-ethyl-1-methylbarbituric acid
- Molecular formula
- C12H16N2O3
- Molecular weight
- 236.27
Names & synonyms
66940-59-8DTXSID209856235-(Cyclopent-2-en-1-yl)-5-ethyl-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dioneRefChem:1072512DTXCID401412814BRN 02622695-(2-Cyclopentenyl)-5-ethyl-1-methylbarbituric acidBARBITURIC ACID, 5-(2-CYCLOPENTENYL)-5-ETHYL-1-METHYL-5-(2-Cyclopentenyl)-5-ethyl-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-cyclopenten-1-yl)-5-ethyl-1-methyl-
Database identifiers
- CAS
66940-59-8- PubChem CID
- 48406
- DTXSID
DTXSID20985623- Nikkaji
- J105.428G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- pka
- 7.99 · 7.99±0.10(Predicted)
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Compound notes
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