3-methyl-2,4,8,10-tetrazabicyclo[4.4.0]deca-1,3,5-trien-9-one

Modify Date: 2026-04-08 14:12:14

3-methyl-2,4,8,10-tetrazabicyclo[4.4.0]deca-1,3,5-trien-9-one Structure
3-methyl-2,4,8,10-tetrazabicyclo[4.4.0]deca-1,3,5-trien-9-one structure
Common Name 3-methyl-2,4,8,10-tetrazabicyclo[4.4.0]deca-1,3,5-trien-9-one
CAS Number 66840-33-3 Molecular Weight 164.16500
Density 1.287g/cm3 Boiling Point 295ºC at 760 mmHg
Molecular Formula C7H8N4O Melting Point N/A
MSDS N/A Flash Point 132.2ºC

 Names

Name 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.287g/cm3
Boiling Point 295ºC at 760 mmHg
Molecular Formula C7H8N4O
Molecular Weight 164.16500
Flash Point 132.2ºC
Exact Mass 164.07000
PSA 70.14000
Index of Refraction 1.566
InChIKey UZFBYCNIWJKOFW-UHFFFAOYSA-N
SMILES Cc1ncc2c(n1)NC(=O)NC2

 Synthetic Route

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3-methyl-2,4,8,10-tetrazabicyclo[4.4.0]deca-1,3,5-trien-9-one Structure

3-methyl-2,4,8,...

CAS#:66840-33-3

Literature: Tomita et al. Yakugaku Zasshi, 1948 , vol. 68, p. 151 Chem.Abstr., 1954 , p. 3984

~%

3-methyl-2,4,8,10-tetrazabicyclo[4.4.0]deca-1,3,5-trien-9-one Structure

3-methyl-2,4,8,...

CAS#:66840-33-3

Literature: Tomita et al. Yakugaku Zasshi, 1948 , vol. 68, p. 151 Chem.Abstr., 1954 , p. 3984

~%

3-methyl-2,4,8,10-tetrazabicyclo[4.4.0]deca-1,3,5-trien-9-one Structure

3-methyl-2,4,8,...

CAS#:66840-33-3

Literature: Tomita et al. Yakugaku Zasshi, 1948 , vol. 68, p. 151 Chem.Abstr., 1954 , p. 3984 Full Text Show Details Sykes; Todd Journal of the Chemical Society, 1951 , p. 534,543

 Bioassay

View more

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: 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: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_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: Inhibition of DNA dependent ATPase activity of flag-tagged recombinant DNA2 D294A mut...
Source: ChEMBL
Target: DNA replication ATP-dependent helicase/nuclease DNA2
External Id: CHEMBL4418066
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
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 Synonyms

HMS3080D11
7-Methyl-3,4-dihydropyrimido(4,5-d)pyrimidin-2(1H)-one
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