2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-phenyl-3-butenyl)-1,3,5-tri-2-propynyl-
Basic information
- CAS
109317-93-3- Standard SMILES
C#CCN1C(=O)N(CC#C)C(=O)C(CC#C)(C(CC=C)c2ccccc2)C1=O- InChIKey
SAHZMSDZVVNQBP-UHFFFAOYSA-N- Molecular formula
- C23H20N2O3
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.1473925
Names & identifiers
- Preferred name
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-phenyl-3-butenyl)-1,3,5-tri-2-propynyl-
- IUPAC
- 5-(1-phenylbut-3-enyl)-1,3,5-tris(prop-2-ynyl)-1,3-diazinane-2,4,6-trione
- English name
- 5-(1-phenylbut-3-enyl)-1,3,5-triprop-2-ynyl-1,3-diazinane-2,4,6-trione
- Molecular formula
- C23H20N2O3
- Molecular weight
- 0
Names & synonyms
109317-93-32,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-phenyl-3-butenyl)-1,3,5-tri-2-propynyl-RefChem:10595955-(1-Phenyl-3-butenyl)-1,3,5-tri-2-propynyl-2,4,6(1H,3H,5H)-pyrimidinetrioneBRN 5146607(Phenyl-1 buten-3 yl)-5 tris(propyn-2 yl)-1,3,5-trioxo-2,4,6 hexahydropyrimidine5-(1-phenylbut-3-enyl)-1,3,5-tris(prop-2-ynyl)-1,3-diazinane-2,4,6-trioneNSC617652DTXSID20911104NSC-6176525-(1-Phenylbut-3-en-1-yl)-1,3,5-tri(prop-2-yn-1-yl)-1,3-diazinane-2,4,6-trione5-(1-phenylbut-3-enyl)-1,3,5-triprop-2-ynyl-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
109317-93-3- PubChem CID
- 357977
- DTXSID
DTXSID20911104
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 767
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Compound notes
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