6-Hydroxy-3-(4-hydroxycyclohexyl)-5-propylpyrimidine-2,4(3H,5H)-dione
Basic information
- CAS
21330-84-7- Standard SMILES
CCCC1C(=O)NC(=O)N(C2CCC(O)CC2)C1=O- InChIKey
WKFVLXPVWIQVMJ-UHFFFAOYSA-N- Molecular formula
- C13H20N2O4
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.14230712
Names & identifiers
- Preferred name
- 6-Hydroxy-3-(4-hydroxycyclohexyl)-5-propylpyrimidine-2,4(3H,5H)-dione
- IUPAC
- 1-(4-hydroxycyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione
- English name
- 1-(4-Hydroxycyclohexyl)-5-propylbarbituric acid
- Molecular formula
- C13H20N2O4
- Molecular weight
- 268.31
Names & synonyms
21330-84-7DTXSID809438856-Hydroxy-3-(4-hydroxycyclohexyl)-5-propylpyrimidine-2,4(3H,5H)-dioneRefChem:1073977DTXCID8013722441-(4-Hydroxycyclohexyl)-5-propylbarbituric acidBRN 0817573Barbituric acid, 1-(4-hydroxycyclohexyl)-5-propyl-2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-(4-hydroxycyclohexyl)-5-propyl-
Database identifiers
- CAS
21330-84-7- PubChem CID
- 210588
- DTXSID
DTXSID80943885- Nikkaji
- J62.467E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 388
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Compound notes
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