2,3-Diamino-6-(trifluoromethyl)-4(3H)-pyrimidinone CAS 95095-71-9
| CAS No. | 95095-71-9 |
| Molecular Formula | C5H5F3N4O |
| Molecular Weight | 194.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2,3-Diamino-6-(trifluoromethyl)-4(3H)-pyrimidinone is closely related to an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2,3-Diamino-6-(trifluoromethyl)-4(3H)-pyrimidinone (CAS 95095-71-9), molecular formula C5H5F3N4O and molecular weight 194.11 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 2,3-Diamino-6-(trifluoromethyl)-4(3H)-pyrimidinone (C5H5F3N4O) is characterized by an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
As a certified reference material (CRM), 2,3-Diamino-6-(trifluoromethyl)-4(3H)-pyrimidinone meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C5H5F3N4O |
| Molecular Weight | 194.11 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
Related Diamino Standards
- 5,6-Diamino-2-(trifluoromethyl)pyrimidin-4-ol (CAS 672-50-4)
- 3,6-Diamino-3aH-pyrazolo[3,4-b]pyrazine-5-carboxylic acid (CAS 791022-66-7)
- (S)-2,3-Diamino-2-benzylpropanoic acid (CAS 158149-99-6)
- 2,6-Diamino-5-(pent-4-en-1-yl)pyrimidin-4(1H)-one (CAS 647831-35-4)
- Ethyl 3,5-diamino-4-methylbenzoate (CAS 42908-12-3)
- Methyl 2,3-diamino-4,6-dimethylbenzoate (CAS 344595-77-3)
- 2,4-Diamino-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid (CAS 1337881-83-0)
- Methyl 3,5-diamino-6-cyanopyrazine-2-carboxylate (CAS 70296-91-2)
Recommended Standards
- 2,2,2-Trifluoroethyl 1H-imidazole-1-carboxylate (CAS 81265-32-9)
- 2-Methyl-4-(trifluoromethyl)furan-3-carboxylic acid (CAS 26431-53-8)
- 2-(2,2,2-Trifluoroethoxy)pyrimidin-5-ol (CAS 944899-94-9)
- 3-Methyl-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione (CAS 85199-76-4)
- n-((3-Methyl-1,2,4-oxadiazol-5-yl)methyl)piperidine-4-carboxamide dihydrochloride (CAS 1426290-15-4)
- N-(Furan-2-ylmethyl)-2-((4-oxo-3-(p-tolyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide (CAS 686771-48-2)
- 2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-chlorophenyl)acetonitrile (CAS 339104-13-1)
- N,N-Bis(6-methylpyridin-2-yl)acetamide (CAS 342653-92-3)
- H-Ala-NHMe · HCl (CAS 61275-22-7)
- 4H-1-Benzothiopyran-4-one, 7-amino-2,3-dihydro-8-hydroxy-, 1,1-dioxide (CAS 2647465-22-1)
- 4-Amino-1-(2-methoxy-2-oxoethyl)pyridin-1-ium bromide (CAS 1011535-59-3)
- 4-Fluoro-N-(1-(5-((4-methoxybenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)-2-phenylethyl)benzamide (CAS 478066-92-1)
- N'-cyclohexylidenepyridine-4-carbohydrazide (CAS 15407-81-5)
- Semaglutide impurity 203 (CAS CATO-C4X-2226203)
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