![1-[4-Amino-2-(4-chlorophenyl)-6-methylpyrimidin-5-yl]ethanone](/api/spectrum/HdJyFVmAa3G/structure.png?h=300&w=458 "1-[4-Amino-2-(4-chlorophenyl)-6-methylpyrimidin-5-yl]ethanone")
| SpectraBase Compound ID | LPZ9rt5uU0t |
|---|---|
| InChI | InChI=1S/C13H12ClN3O/c1-7-11(8(2)18)12(15)17-13(16-7)9-3-5-10(14)6-4-9/h3-6H,1-2H3,(H2,15,16,17) |
| InChIKey | MEYDQTXPLFHAEL-UHFFFAOYSA-N |
| Mol Weight | 261.71 g/mol |
| Molecular Formula | C13H12ClN3O |
| Exact Mass | 261.06689 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HdJyFVmAa3G |
|---|---|
| Name | 1-[4-Amino-2-(4-chlorophenyl)-6-methylpyrimidin-5-yl]ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.066889717 u |
| Formula | C13H12ClN3O |
| InChI | InChI=1S/C13H12ClN3O/c1-7-11(8(2)18)12(15)17-13(16-7)9-3-5-10(14)6-4-9/h3-6H,1-2H3,(H2,15,16,17) |
| InChIKey | MEYDQTXPLFHAEL-UHFFFAOYSA-N |
| SMILES | C1(=C(C(=NC(=N1)C1=CC=C(C=C1)Cl)C)C(C)=O)N |