Basic information
- CAS
17148-44-6- Standard SMILES
CC(O)CCC1C(=O)NC(=O)N(C2CCCCC2)C1=O- InChIKey
KWKUDHRFXHHXFJ-UHFFFAOYSA-N- Molecular formula
- C14H22N2O4
- Average molar mass
- 282.34 g/mol
- Monoisotopic mass
- 282.15795719
Names & identifiers
- Preferred name
- 3-Cyclohexyl-6-hydroxy-5-(3-hydroxybutyl)pyrimidine-2,4(3H,5H)-dione
- IUPAC
- 1-cyclohexyl-5-(3-hydroxybutyl)-1,3-diazinane-2,4,6-trione
- English name
- 1-Cyclohexyl-5-(3-hydroxybutyl)barbituric acid
- Molecular formula
- C14H22N2O4
- Molecular weight
- 282.34
Names & synonyms
17148-44-6DTXSID509379933-Cyclohexyl-6-hydroxy-5-(3-hydroxybutyl)pyrimidine-2,4(3H,5H)-dioneRefChem:1067665DTXCID2013665421-Cyclohexyl-5-(3-hydroxybutyl)barbituric acid1-cyclohexyl-5-(3-hydroxybutyl)-1,3-diazinane-2,4,6-trione1-Cyclohexyl-5-(3-hydroxybutyl)perhydropyrimidine-2,4,6-trioneBARBITURIC ACID, 1-CYCLOHEXYL-5-(3-HYDROXYBUTYL)-1-Cyclohexyl-5-(3-hydroxybutyl)-2,4,6-trioxoperhydropyrimidine2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-cyclohexyl-5-(3-hydroxybutyl)-
Database identifiers
- CAS
17148-44-6- PubChem CID
- 28340
- DTXSID
DTXSID50937993- Nikkaji
- J62.435G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- Melting point
- 131 °C · 131 °C(Solv: ethyl ether (60-29-7); ligroine (8032-32-4))
- Density
- 1.219 · 1.219±0.06 g/cm3(Predicted)
- pka
- 5.58 · 5.58±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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