Pyrimidine
Pyrimidine structure
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Common Name | Pyrimidine | ||
|---|---|---|---|---|
| CAS Number | 289-95-2 | Molecular Weight | 80.088 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 122.4±9.0 °C at 760 mmHg | |
| Molecular Formula | C4H4N2 | Melting Point | 19-22 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 31.1±0.0 °C | |
| Symbol |
GHS02 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | pyrimidine |
|---|---|
| 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 | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 122.4±9.0 °C at 760 mmHg |
| Melting Point | 19-22 °C(lit.) |
| Molecular Formula | C4H4N2 |
| Molecular Weight | 80.088 |
| Flash Point | 31.1±0.0 °C |
| Exact Mass | 80.037445 |
| PSA | 25.78000 |
| LogP | -0.33 |
| Vapour Pressure | 16.8±0.2 mmHg at 25°C |
| Index of Refraction | 1.503 |
| InChIKey | CZPWVGJYEJSRLH-UHFFFAOYSA-N |
| SMILES | c1cncnc1 |
| Storage condition | Flammables area |
| Stability | Stable, but air-sensitive and hygroscopic. Incompatible with acids, acid chlorides, acid anhydrides, strong oxidizing agents, carbon dioxide. Flammable. |
| Water Solubility | soluble |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
MUTATION DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS02 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H226 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi |
| Risk Phrases | R10 |
| Safety Phrases | S23-S24/25-S16 |
| RIDADR | UN 1993 3/PG 3 |
| WGK Germany | 3 |
| RTECS | UV6263000 |
| Packaging Group | III |
| Hazard Class | 3 |
| HS Code | 2933599090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
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CAS#:22114-27-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| 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% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Assessing the metabolic impact of nitrogen availability using a compartmentalized maize leaf genome-scale model.
Plant Physiol. 166(3) , 1659-74, (2014) Maize (Zea mays) is an important C4 plant due to its widespread use as a cereal and energy crop. A second-generation genome-scale metabolic model for the maize leaf was created to capture C4 carbon fi... |
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Orthovanadate-Induced Vasoconstriction of Rat Mesenteric Arteries Is Mediated by Rho Kinase-Dependent Inhibition of Myosin Light Chain Phosphatase.
Biol. Pharm. Bull. 38 , 1809-16, (2015) Orthovanadate (OVA), a protein tyrosine phosphatase inhibitor, induces vasoconstriction in a Rho kinase-dependent manner. The aim of this study was to determine the mechanism underlying OVA-induced va... |
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Cetuximab-induced insulin-like growth factor receptor I activation mediates cetuximab resistance in gastric cancer cells.
Mol. Med. Report. 11 , 4547-54, (2015) Epidermal growth factor receptor (EGFR) and insulin‑like growth factor receptor‑I (IGF‑IR) are frequently overexpressed in gastric cancer cells. However, these cells are resistant to the anti‑EGFR mon... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Competitive inhibition of electric eel AChE using acetylthiocholine chloride as subst...
Source: ChEMBL
Target: Acetylcholinesterase
External Id: CHEMBL3282825
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Name: Noncompetitive inhibition of electric eel AChE using acetylthiocholine chloride as su...
Source: ChEMBL
Target: Acetylcholinesterase
External Id: CHEMBL3282824
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Name: Dissociation constant, pKa of the compound by potentiometric titration analysis
Source: ChEMBL
Target: N/A
External Id: CHEMBL3282827
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Name: Noncompetitive inhibition of electric eel AChE using acetylthiocholine chloride as su...
Source: ChEMBL
Target: Acetylcholinesterase
External Id: CHEMBL3282826
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Name: Dissociation constant, pKa of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL4181387
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Name: Inhibition of Thromboxane synthetase at 100 mM
Source: ChEMBL
Target: Thromboxane-A synthase
External Id: CHEMBL814399
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Name: Competitive inhibition of electric eel AChE using acetylthiocholine chloride as subst...
Source: ChEMBL
Target: Acetylcholinesterase
External Id: CHEMBL3282823
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Name: Dissociation constant, pKa of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL2173908
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| iazine |
| Miazine |
| Pyrimidin |
| EINECS 206-026-0 |
| PyriMidine free base |
| 1,3-DIAZINE |
| 1,3-Diazin |
| Metadiazine |
| m-Diazine |
| Pyrimidine |
| MFCD00006059 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of pyrimidine? |
| A: Boiling point of pyrimidine is 122.4±9.0 °C at 760 mmHg. |
| Q: What is the SMILES notation of pyrimidine? |
| A: SMILES notation of pyrimidine is c1cncnc1. |
| Q: What is the English name of pyrimidine? |
| A: The English name of pyrimidine is pyrimidine. |
| Q: What is the safety information for pyrimidine? |
| A: Safety information for pyrimidine: S23-S24/25-S16. |
| Q: What is the InChIKey of pyrimidine? |
| A: InChIKey of pyrimidine is CZPWVGJYEJSRLH-UHFFFAOYSA-N. |
| Q: What is the molecular formula of pyrimidine? |
| A: Molecular formula of pyrimidine is C4H4N2. |
| Q: What is the CAS number of pyrimidine? |
| A: CAS number of pyrimidine is 289-95-2. |
| Q: What English synonyms does pyrimidine have? |
| A: English synonyms of pyrimidine: iazine, Miazine, Pyrimidin, EINECS 206-026-0, PyriMidine free base, 1,3-DIAZINE, 1,3-Diazin, Metadiazine, m-Diazine, Pyrimidine, MFCD00006059. |
| Q: What is the polar surface area (PSA) of pyrimidine? |
| A: Polar surface area (PSA) of pyrimidine is 25.78000. |
| Q: What is the LogP of pyrimidine? |
| A: LogP of pyrimidine is -0.33. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |