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Pyrimethamine
SpectraBase Compound ID DTg8AENB8dR
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
Mol Weight 248.72 g/mol
Molecular Formula C12H13ClN4
Exact Mass 248.082874 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L91sHzTAYCt
Name 2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-ethyl-
Alternate Name(s) 2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine 2,4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine 2,4-Diamino-5-chlorophenyl-6-ethylpyrimidine 2,4-Pyrimidinediamine, 5-(p-chlorophenyl)-6-ethyl- 5-(4'-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine 5-(4-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine 5-(4-Chlorophenyl)-6-ethyl-2,4-pyrimidinediamine 5-(4-Chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine Chloridin Chloridine Chloridyn Darachlor Daraclor Darapram Daraprim Daraprime Diaminopyritamin Erbaprelina Ethylpyrimidine Fansidar Khloridin Malacid Malocid Malocide Maloprim Pirimecidan Pirimetamin Pirimetamina Primethamine Pyremethamine Pyrimethamin Pyrimethamine Pyrimethaminum Tindurin Tinduring [2-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-4-yl]amine AI3-25005 BRN 0219864 BW 50-63 CCRIS 546 EINECS 200-364-2 NCI-C01683 RP 4753 WR 2978
CAS Registry Number 58-14-0
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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
Molecular Weight 248.717 g/mol
SMILES Nc1nc(c(c(n1)N)-c1ccc(Cl)cc1)CC
SPLASH splash10-0002-1390000000-e66943c00ab7360ad8d8
Source of Spectrum A-2-677-1
Wiley ID 1250785