| SpectraBase Spectrum ID |
JGgLWR2J65A |
| Name |
Pyrimethamine |
| CAS Registry Number |
58-14-0 |
| Classification |
Pharmaceutical drug, antimalarial |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
248.082874135 u |
| Formula |
C12H13ClN4 |
| InChI |
InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) |
| InChIKey |
WKSAUQYGYAYLPV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
248.717 g/mol |
| Nominal Mass |
248 u |
| Quality |
889 |
| Retention Index |
2138 |
| SMILES |
NC=1C(=C(N=C(N1)N)CC)C1=CC=C(C=C1)Cl |
| SPLASH |
splash10-0006-9310000000-e7507dc0c7ac1cce0cf9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013139 |
