compound introduction
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4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methylpyrimidine
CAS number：18694-40-1 molecular formula：C11H14N4O2
overview
Specs
| Chinese alias | - | ||
| English alias | 2-(5-Methoxy-3-methyl-1-pyrazinyl)-4-methoxy-6-methyl-pyrimidine | ||
| CAS number | 18694-40-1 | molecular formula | C11H14N4O2 |
| molecular weight | 234.25 | Exact mass | - |
| PSA | 62.1 | logp | 1.3 |
numbering system
| CAS | 18694-40-1 |
| UNII | 3B46O2FH8I |
| HMDB ID | HMDB0254454 |
| KEGG ID | D01394 |
| ChEBI ID | 31545 |
| Wikidata | Q5383219 |
| ChEMBL ID | CHEMBL1411693 |
| Wikipedia | Epirizole |
| DrugBank ID | DB08991 |
| DrugCentral | 1029 |
| PubChem CID | 3242 |
| Nikkaji Number | J3.453C |
| NCI 词表代码 | C76075 |
| DSSTox Substance ID | DTXSID4045422 |
| Metabolomics Workbench ID | 152065 |
| European Community (EC) Number | 242-507-1 |
| PubChem Reference Collection SID | 505586672 |
| United States Adopted Name (USAN) | EPIRIZOLE |
| International Nonproprietary Names (INN) | EPIRIZOLE |
physicochemical properties
| XLogP3 | 1.3 |
| 熔点 | 90-92 |
| 复杂性 | 254 |
| 溶解度 | >35.1 [ug/mL] (pH 7.4时的结果平均值) |
| Exact Mass | 234.11167570 |
| 形式电荷 | 0 |
| 重原子计数 | 17 |
| Molecular Weight | 234.25 |
| Monoisotopic Mass | 234.11167570 |
| 可旋转键计数 | 3 |
| 氢键供体计数 | 0 |
| 氢键受体计数 | 5 |
| 共价键单元计数 | 1 |
| 同位素原子计数 | 0 |
| 拓扑极性表面积 | 62.1 Ų |
| 定义键立体中心计数 | 0 |
| 定义原子立体中心计数 | 0 |
| 未定义键立体中心计数 | 0 |
| 未定义原子手性中心计数 | 0 |
Safety information
危害类别和分类：
STOT SE 3 (100%)
Production methods and uses
purpose
工业应用参考：
工业分类参考：化学纤维制造业。
应用场景参考：在环境监测、水资源分析、矿产检测、农残筛查和大气污染研究等方向具备潜在应用空间 。
作用参考：在科研材料体系中具备较强的组合应用潜力，价值往往取决于具体配方、纯度等级和工艺设计 。
选型提示：涉及安全应用管理时，仍应以 MSDS、产品详情页和现场工艺控制要求为准，不应由参考文案替代 。
Related
upstream information
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downstream information
No downstream information yet
MSDS
Found 1 shareMSDS
18694-40-1 | Mepirizole.pdf
