5,5-Diethyl-6-hydroxy-3-(1-phenylpropan-2-yl)pyrimidine-2,4(3H,5H)-dione
Basic information
- CAS
34486-69-6- Standard SMILES
CCC1(CC)C(=O)NC(=O)N(C(C)Cc2ccccc2)C1=O- InChIKey
KHUUSSKUJNDZMB-UHFFFAOYSA-N- Molecular formula
- C17H22N2O3
- Average molar mass
- 302.37 g/mol
- Monoisotopic mass
- 302.16304257
Names & identifiers
- Preferred name
- 5,5-Diethyl-6-hydroxy-3-(1-phenylpropan-2-yl)pyrimidine-2,4(3H,5H)-dione
- IUPAC
- 5,5-diethyl-1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4,6-trione
Names & synonyms
34486-69-6DTXSID809560165,5-Diethyl-6-hydroxy-3-(1-phenylpropan-2-yl)pyrimidine-2,4(3H,5H)-dioneRefChem:1072130DTXCID001383994BRN 06812245,5-Diethyl-1-(alpha-methylphenethyl)barbituric acidBarbituric acid, 5,5-diethyl-1-(alpha-methylphenethyl)-Acide diethyl-5,5 (methyl-1 phenyl-2 ethyl)-1 barbiturique [French]2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-3-(1-methyl-2-phenylethyl)-5-24-09-00148 (Beilstein Handbook Reference)Acide diethyl-5,5 (methyl-1 phenyl-2 ethyl)-1 barbiturique
Database identifiers
- CAS
34486-69-6- PubChem CID
- 214856
- DTXSID
DTXSID80956016
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 451
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Compound notes
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