1-benzyl-2,4-dioxopyrimidine-5-carbonitrile

Modify Date: 2026-08-07 02:27:32

1-benzyl-2,4-dioxopyrimidine-5-carbonitrile Structure
1-benzyl-2,4-dioxopyrimidine-5-carbonitrile structure
Common Name 1-benzyl-2,4-dioxopyrimidine-5-carbonitrile
CAS Number 57712-62-6 Molecular Weight 227.21900
Density 1.37g/cm3 Boiling Point N/A
Molecular Formula C12H9N3O2 Melting Point 234-237ºC
MSDS N/A Flash Point N/A

 Names

Name 1-benzyl-2,4-dioxopyrimidine-5-carbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.37g/cm3
Melting Point 234-237ºC
Molecular Formula C12H9N3O2
Molecular Weight 227.21900
Exact Mass 227.06900
PSA 78.65000
LogP 0.45658
Index of Refraction 1.644
InChIKey CWPWTXZTZCRWLW-UHFFFAOYSA-N
SMILES N#Cc1cn(Cc2ccccc2)c(=O)[nH]c1=O

 Safety Information

HS Code 2933599090

 Synthetic Route

~%

1-benzyl-2,4-dioxopyrimidine-5-carbonitrile Structure

1-benzyl-2,4-di...

CAS#:57712-62-6

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Literature: Journal of the Chemical Society, , p. 4118,4120

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

HS Code 2933599090
Summary 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Bioassay

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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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: qHTS of TDP-43 Inhibitors: NCGC Sytravon Library Screen
Source: NCGC
External Id: tdp43-p2-repeat
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 Synonyms

1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidine-5-carbonitrile
1-Benzyl-5-cyanouracil
1-Benzyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-carbonitril
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