2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine
Product Specifications
- CAS
- 179756-91-3
- MF
- C9H11F3N4
- Appearance
- yellow solid or liquid
- Synonym(s)
- 2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine; 1-[4-(TrifluoroMethyl)-2-pyriMidinyl]piperazine; Pyrimidine, 2-(1-piperazinyl)-4-(trifluoromethyl)-; Pyrimidine, 2-(1-piperazinyl)-4-(trifluoromethyl)-; 2-(1-Piperazinyl)-4-(trifluoromethyl)pyrimidine
- Shipping
- 2-8°C
- Storage
- 2-8°C
2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine corresponds to CAS 179756-91-3, formula C9H11F3N4, and molecular weight 232.21. PubChem resolves the CAS to one record, CID 2778334. The verified connectivity is SMILES C1CN(CCN1)C2=NC=CC(=N2)C(F)(F)F, and InChIKey WBJVPAABGFBMJQ-UHFFFAOYSA-N identifies that graph. PubChem also lists 1-(4-trifluoromethylpyrimidin-2-yl)piperazine as an exact synonym.
The pyrimidine ring contributes two nitrogens and carries a trifluoromethyl group at position 4. At position 2, a carbon-nitrogen bond joins the heteroaromatic ring to piperazine through piperazine nitrogen 1. The second piperazine nitrogen retains hydrogen in the neutral representation, bringing the total nitrogen count to four. All three fluorines belong to the same trifluoromethyl carbon. Describing the attachment from the piperazine side or the pyrimidine side changes word order, not connectivity. The official structure contains one component, no counterion, and no encoded stereochemistry.
An identity inquiry to Rlavie should cite CAS 179756-91-3, the standardized title, and the requested quantity. Attach a MOL or SDF structure file for comparison with PubChem CID 2778334, SMILES C1CN(CCN1)C2=NC=CC(=N2)C(F)(F)F, and InChIKey WBJVPAABGFBMJQ-UHFFFAOYSA-N. The check should confirm the pyrimidine 2-position linkage and the 4-trifluoromethyl group before request-specific details are reviewed. A shortened trifluoromethylpyrimidinyl piperazine phrase can omit the decisive ring positions even though it refers to the same two parent systems precisely.