Barbituric acid, 1-(4-hydroxycyclohexyl)-5-isopropyl-
Basic information
- CAS
4101-97-7- Standard SMILES
CC(C)C1C(=O)NC(=O)N(C2CCC(O)CC2)C1=O- InChIKey
CEWVGPYSEYTYEC-UHFFFAOYSA-N- Molecular formula
- C13H20N2O4
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.14230712
Names & identifiers
- Preferred name
- Barbituric acid, 1-(4-hydroxycyclohexyl)-5-isopropyl-
- IUPAC
- 1-(4-hydroxycyclohexyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
- English name
- 1-(4-Hydroxycyclohexyl)-5-isopropylbarbituric acid
- Molecular weight
- 0
Names & synonyms
4101-97-7Barbituric acid, 1-(4-hydroxycyclohexyl)-5-isopropyl-RefChem:10774881-(4-Hydroxycyclohexyl)-5-isopropylbarbituric acidBRN 0892005DTXSID909613786-Hydroxy-3-(4-hydroxycyclohexyl)-5-(propan-2-yl)pyrimidine-2,4(3H,5H)-dione
Database identifiers
- CAS
4101-97-7- PubChem CID
- 199388
- DTXSID
DTXSID90961378- Nikkaji
- J62.460H
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 399
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Compound notes
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