5-Benzylbarbiturate

Modify Date: 2026-07-09 17:47:47

5-Benzylbarbiturate Structure
5-Benzylbarbiturate structure
Common Name 5-Benzylbarbiturate
CAS Number 5909-45-5 Molecular Weight 218.20900
Density 1.193g/cm3 Boiling Point 426.2ºC at 760 mmHg
Molecular Formula C11H10N2O3 Melting Point N/A
MSDS N/A Flash Point 214.6ºC

 Names

Name 5-benzyl-1,3-diazinane-2,4,6-trione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.193g/cm3
Boiling Point 426.2ºC at 760 mmHg
Molecular Formula C11H10N2O3
Molecular Weight 218.20900
Flash Point 214.6ºC
Exact Mass 218.06900
PSA 75.27000
LogP 0.86890
Index of Refraction 1.587
InChIKey MENIJRPFVLNJIH-UHFFFAOYSA-N
SMILES O=C1NC(=O)C(Cc2ccccc2)C(=O)N1

 Synthetic Route

~92%

5-Benzylbarbiturate Structure

5-Benzylbarbiturate

CAS#:5909-45-5

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Literature: Jursic, Branko S.; Stevens, Edwin D. Tetrahedron Letters, 2003 , vol. 44, # 10 p. 2203 - 2210

~95%

5-Benzylbarbiturate Structure

5-Benzylbarbiturate

CAS#:5909-45-5

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Literature: Ramachary, Dhevalapally B.; Kishor; Ramakumar Tetrahedron Letters, 2006 , vol. 47, # 5 p. 651 - 656

~%

5-Benzylbarbiturate Structure

5-Benzylbarbiturate

CAS#:5909-45-5

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Literature: Jursic, Branko S.; Neumann, Donna M. Tetrahedron Letters, 2001 , vol. 42, # 25 p. 4103 - 4107

~%

5-Benzylbarbiturate Structure

5-Benzylbarbiturate

CAS#:5909-45-5

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Literature: Kast Chemische Berichte, 1912 , vol. 45, p. 3124

~39%

5-Benzylbarbiturate Structure

5-Benzylbarbiturate

CAS#:5909-45-5

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Literature: Tate; Tinnermann II; Jurevics; et al. Journal of Heterocyclic Chemistry, 1986 , vol. 23, # 1 p. 9 - 11

~%

5-Benzylbarbiturate Structure

5-Benzylbarbiturate

CAS#:5909-45-5

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Literature: Conrad; Guthzeit Chemische Berichte, 1882 , vol. 15, p. 2842 Justus Liebigs Annalen der Chemie, 1884 , vol. 222, p. 250

~%

5-Benzylbarbiturate Structure

5-Benzylbarbiturate

CAS#:5909-45-5

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Literature: Conrad; Reinbach Chemische Berichte, 1901 , vol. 34, p. 1343

 5-BenzylbarbiturateBioassay

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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
Name: uHTS identification of small molecule modulators of NR3A
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: SBCCG-A1015-NR3A-Primary-Assay
Name: uHTS identification of small molecule modulators of Rev-erb Alpha.
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: SBCCG-A1016-RevErbaLBD-Primary-Assay
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 Synonyms

5-benzylpyrimidine-2,4,6(1h,3h,5h)-trione
5-benzyl-pyrimidine-2,4,6-trione
5-benzylbarbituric acid
5-Benzyl-barbitursaeure
5-benzyl barbiturate
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