3-methyl-2,4,8,10-tetrazabicyclo[4.4.0]deca-1,3,5-trien-9-one
![3-methyl-2,4,8,10-tetrazabicyclo[4.4.0]deca-1,3,5-trien-9-one Structure](https://image.chemsrc.com/caspic/227/66840-33-3.png)
3-methyl-2,4,8,10-tetrazabicyclo[4.4.0]deca-1,3,5-trien-9-one structure
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Common Name | 3-methyl-2,4,8,10-tetrazabicyclo[4.4.0]deca-1,3,5-trien-9-one | ||
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| 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 | |
Summary: 7-Methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one (Chinese name: 3-Methyl-2,4,8,10-tetrazabicyclo[4.4.0]deca-1,3,5-trien-9-one), CAS number: 66840-33-3, molecular formula: C7H8N4O, molecular weight: 164.16500. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| 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 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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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 |
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~%
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,... 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 |
![7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione structure](https://image.chemsrc.com/caspic/178/7403-34-1.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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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
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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
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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
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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
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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
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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
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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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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
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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
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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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| HMS3080D11 |
| 7-Methyl-3,4-dihydropyrimido(4,5-d)pyrimidin-2(1H)-one |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one? |
| A: Polar surface area (PSA) of 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one is 70.14000. |
| Q: What is the English name of 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one? |
| A: The English name of 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one is 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one. |
| Q: What is the Chinese name of 66840-33-3? |
| A: Chinese name of 66840-33-3 is 66840-33-3. |
| Q: What is the SMILES notation of 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one? |
| A: SMILES notation of 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one is Cc1ncc2c(n1)NC(=O)NC2. |
| Q: What is the CAS number of 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one? |
| A: CAS number of 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one is 66840-33-3. |
| Q: What is the molecular weight of 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one? |
| A: Molecular weight of 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one is 164.16500. |
| Q: What are the upstream materials of 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one? |
| A: Related upstream materials(CAS) of 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one: 874-43-1;7403-34-1;590-28-3. |
| Q: What is the molecular formula of 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one? |
| A: Molecular formula of 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one is C7H8N4O. |
| Q: What is the InChIKey of 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one? |
| A: InChIKey of 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one is UZFBYCNIWJKOFW-UHFFFAOYSA-N. |
| Q: What English synonyms does 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one have? |
| A: English synonyms of 7-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one: HMS3080D11, 7-Methyl-3,4-dihydropyrimido(4,5-d)pyrimidin-2(1H)-one. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |