Barbituric acid, 1,3-dicyclohexyl-5-(3-oxobutyl)-
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Basic information
- CAS
20527-61-1- Standard SMILES
CC(=O)CCC1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O- InChIKey
ZFPXRUWYABZHBU-UHFFFAOYSA-N- Molecular formula
- C20H30N2O4
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.22055744
Names & identifiers
- Preferred name
- Barbituric acid, 1,3-dicyclohexyl-5-(3-oxobutyl)-
- IUPAC
- 1,3-dicyclohexyl-5-(3-oxobutyl)-1,3-diazinane-2,4,6-trione
- English name
- 1,3-Dicyclohexyl-5-(3-oxobutyl)barbituric acid
- Molecular formula
- C20H30N2O4
- Molecular weight
- 362.46
Names & synonyms
20527-61-1BRN 0767511BARBITURIC ACID, 1,3-DICYCLOHEXYL-5-(3-OXOBUTYL)-1,3-Dicyclohexyl-5-(3-oxobutyl)barbituric acid1,3-Dicyclohexyl-5-(3-oxobutyl)perhydropyrimidine-2,4,6-trioneDTXSID901745225-24-09-00411 (Beilstein Handbook Reference)RefChem:320603DTXCID20970131,3-dicyclohexyl-5-(3-oxobutyl)-1,3-diazinane-2,4,6-trioneDB-3114551,3-Dicyclohexyl -5-(3-oxobutyl )barbituric acid
Show more names
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dicyclohexyl-5-(3-oxobutyl)-
Database identifiers
- CAS
20527-61-1- PubChem CID
- 30178
- DTXSID
DTXSID90174522- Nikkaji
- J62.439J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 536
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Compound notes
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