1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE

Modify Date: 2025-08-25 13:34:53

1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE Structure
1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE structure
Common Name 1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE
CAS Number 86236-77-3 Molecular Weight 291.39000
Density 1.15g/cm3 Boiling Point 435.5ºC at 760 mmHg
Molecular Formula C19H21N3 Melting Point 82-84ºC
MSDS N/A Flash Point 184.9ºC

 Names

Name 1,3-dibenzyl-1,3-diazinane-5-carbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.15g/cm3
Boiling Point 435.5ºC at 760 mmHg
Melting Point 82-84ºC
Molecular Formula C19H21N3
Molecular Weight 291.39000
Flash Point 184.9ºC
Exact Mass 291.17400
PSA 30.27000
LogP 2.97748
Index of Refraction 1.624
InChIKey PSDQOOQJPHTEIA-UHFFFAOYSA-N
SMILES N#CC1CN(Cc2ccccc2)CN(Cc2ccccc2)C1

 Safety Information

Risk Phrases R22
Safety Phrases S22-S36/37
RIDADR UN 3276
Packaging Group III
Hazard Class 6.1
HS Code 2933599090

 Synthetic Route

~60%

1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE Structure

1,3-DIBENZYL-5-...

CAS#:86236-77-3

Literature: Fukawa, Hidemichi; Terao, Yoshiyasu; Achiwa, Kazuo; Sehiya, Minoru Chemical & Pharmaceutical Bulletin, 1983 , vol. 31, # 1 p. 94 - 99

~23%

1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE Structure

1,3-DIBENZYL-5-...

CAS#:86236-77-3

Literature: Chemical & Pharmaceutical Bulletin, , vol. 31, # 1 p. 94 - 99

 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%

 1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINEBioassay

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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: 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: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
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
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 Synonyms

1,3-bisbenzyl-1,3-diazaperhydroine-5-carbonitrile
HMS550N01
1,3-dibenzylhexahydropyrimidine-5-carbonitrile
5-cyano-1,3-dibenzylhexahydropyrimidine
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