Barbituric acid, 1-cyclohexyl-5-propyl-
Basic information
- CAS
890-04-0- Standard SMILES
CCCC1C(=O)NC(=O)N(C2CCCCC2)C1=O- InChIKey
RXDPKNUSKRDQNV-UHFFFAOYSA-N- Molecular formula
- C13H20N2O3
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.1473925
Names & identifiers
- Preferred name
- Barbituric acid, 1-cyclohexyl-5-propyl-
- IUPAC
- 1-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione
- English name
- 1-Cyclohexyl-5-propyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular weight
- 0
Names & synonyms
890-04-0BARBITURIC ACID, 1-CYCLOHEXYL-5-PROPYL-RefChem:10775111-Cyclohexyl-5-propylbarbituric acidBRN 08891621-Cyclohexyl-5-propyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-cyclohexyl-5-propyl-SCHEMBL17472455DTXSID6010085923-Cyclohexyl-6-hydroxy-5-propylpyrimidine-2,4(3H,5H)-dione
Database identifiers
- CAS
890-04-0- PubChem CID
- 13459
- DTXSID
DTXSID601008592- Nikkaji
- J105.424D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 361
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Related reactions
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Compound notes
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