6-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one
![6-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one Structure](https://image.chemsrc.com/caspic/273/166751-35-5.png)
6-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one structure
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Common Name | 6-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one | ||
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| CAS Number | 166751-35-5 | Molecular Weight | 247.31600 | |
| Density | 1.33g/cm3 | Boiling Point | 407.6ºC at 760 mmHg | |
| Molecular Formula | C12H13N3OS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 200.3ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 6-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one |
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This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.33g/cm3 |
|---|---|
| Boiling Point | 407.6ºC at 760 mmHg |
| Molecular Formula | C12H13N3OS |
| Molecular Weight | 247.31600 |
| Flash Point | 200.3ºC |
| Exact Mass | 247.07800 |
| PSA | 97.07000 |
| LogP | 2.53400 |
| Vapour Pressure | 7.45E-07mmHg at 25°C |
| Index of Refraction | 1.667 |
| InChIKey | OQQZKAPKMXBJSE-UHFFFAOYSA-N |
| SMILES | Cc1ccc(CSc2nc(N)cc(=O)[nH]2)cc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933599090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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6-amino-2-[(4-m... CAS#:166751-35-5 |
| Literature: Nugent, Richard A.; Schlachter, Stephen T.; Murphy, Michael J.; Cleek, Gary J.; Poel, Toni J.; Wishka, Donn G.; Graber, David R.; Yagi, Yoshihiko; Keiser, Barbara J.; Olmsted, Robert A.; Kopta, Laurie A.; Swaney, Steven M.; Poppe, Susan M.; Morris, Joel; Tarpley, W. Gary; Thomas, Richard C. Journal of Medicinal Chemistry, 1998 , vol. 41, # 20 p. 3793 - 3803 |
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6-amino-2-[(4-m... CAS#:166751-35-5 |
| Literature: PHARMACIA and UPJOHN COMPANY Patent: EP1247804 A1, 2002 ; Location in patent: Page 9 ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933599090 |
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| 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% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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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
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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: Antagonist activity at 20% inactivated human sodium channel Nav1.7 expressed in human...
Source: ChEMBL
Target: Sodium channel protein type 9 subunit alpha
External Id: CHEMBL1942850
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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: 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
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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: Intrinsic clearance in rat liver microsomes assessed as per mg of tissue
Source: ChEMBL
Target: Liver microsomes
External Id: CHEMBL1942856
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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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This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 6-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one? |
| A: LogP of 6-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one is 2.53400. |
| Q: What is the CAS number of 6-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one? |
| A: CAS number of 6-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one is 166751-35-5. |
| Q: What is the Chinese name of 166751-35-5? |
| A: Chinese name of 166751-35-5 is 166751-35-5. |
| Q: What is the polar surface area (PSA) of 6-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one? |
| A: Polar surface area (PSA) of 6-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one is 97.07000. |
| Q: What is the molecular weight of 6-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one? |
| A: Molecular weight of 6-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one is 247.31600. |
| Q: What are the upstream materials of 6-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one? |
| A: Related upstream materials(CAS) of 6-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one: 1004-40-6;104-81-4. |
| Q: What is the InChIKey of 6-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one? |
| A: InChIKey of 6-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one is OQQZKAPKMXBJSE-UHFFFAOYSA-N. |
| Q: What is the boiling point of 6-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one? |
| A: Boiling point of 6-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one is 407.6ºC at 760 mmHg. |
| Q: What is the SMILES notation of 6-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one? |
| A: SMILES notation of 6-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one is Cc1ccc(CSc2nc(N)cc(=O)[nH]2)cc1. |
| Q: What is the molecular formula of 6-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one? |
| A: Molecular formula of 6-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one is C12H13N3OS. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |