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6-Amino-4-(5-methyl-1H-pyrrol-2-yl)-2,4-bis-trifluoromethyl-1,4-dihydro-pyrimidine-5-carbonitrile
SpectraBase Compound ID 5NTxi9K290g
InChI InChI=1S/C12H9F6N5/c1-5-2-3-7(21-5)10(12(16,17)18)6(4-19)8(20)22-9(23-10)11(13,14)15/h2-3,21H,20H2,1H3,(H,22,23)
InChIKey YZEPLDNTOLLDJZ-UHFFFAOYSA-N
Mol Weight 337.23 g/mol
Molecular Formula C12H9F6N5
Exact Mass 337.076214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JARqHlEshNT
Name 6-Amino-4-(5-methyl-1H-pyrrol-2-yl)-2,4-bis-trifluoromethyl-1,4-dihydro-pyrimidine-5-carbonitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9F6N5
InChI InChI=1S/C12H9F6N5/c1-5-2-3-7(21-5)10(12(16,17)18)6(4-19)8(20)22-9(23-10)11(13,14)15/h2-3,21H,20H2,1H3,(H,22,23)
InChIKey YZEPLDNTOLLDJZ-UHFFFAOYSA-N
Molecular Weight 337.229 g/mol
SMILES N1C(=C(C(c2ccc([nH]2)C)(N=C1C(F)(F)F)C(F)(F)F)C#N)N
SPLASH splash10-014i-7690000000-37aa55493a0292605afd
Synonyms 6-Amino-4-(5-methyl-1H-pyrrol-2-yl)-2,4-bis(trifluoromethyl)-1,4-dihydro-5-pyrimidinecarbonitrile 6-Amino-4-(5-methyl-1H-pyrrol-2-yl)-2,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile 6-Azanyl-4-(5-methyl-1H-pyrrol-2-yl)-2,4-bis(trifluoromethyl)-1H-pyrimidine-5-carbonitrile
Wiley ID 1462686