N-[4-chloro-6-(4-methylpiperazin-4-ium-1-yl)-5-methylsulfanylpyrimidin-2-yl]-N-methylbenzamide chloride

CAS: 55477-32-2

Molecular Formula	`C18H23Cl2N5OS`
Molecular Weight	428.4 g/mol
Topological Polar Surface Area	79.1 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	427.10004
Heavy Atoms	27
Complexity	470.0

Chemical Identifiers

CAS Number	55477-32-2
SMILES	`C[NH+]1CCN(CC1)C2=C(C(=NC(=N2)N(C)C(=O)C3=CC=CC=C3)Cl)SC.[Cl-]`
InChIKey	`WXNZHNBICYJCMQ-UHFFFAOYSA-N`

📖 Product Overview

N-[4-chloro-6-(4-methylpiperazin-4-ium-1-yl)-5-methylsulfanylpyrimidin-2-yl]-N-methylbenzamide chloride (CAS: 55477-32-2) is a chemical compound with molecular formula C18H23Cl2N5OS and molecular weight 428.4 g/mol. Its IUPAC systematic name is N-[4-chloro-6-(4-methylpiperazin-4-ium-1-yl)-5-methylsulfanylpyrimidin-2-yl]-N-methylbenzamide chloride. Topological Polar Surface Area 79.1 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 4 Exact Mass 427.10004 Heavy Atoms 27 Complexity 470.0 InChI Key: WXNZHNBICYJCMQ-UHFFFAOYSA-N. SMILES: C[NH+]1CCN(CC1)C2=C(C(=NC(=N2)N(C)C(=O)C3=CC=CC=C3)Cl)SC.[Cl-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for N-[4-chloro-6-(4-methylpiperazin-4-ium-1-yl)-5-methylsulfanylpyrimidin-2-yl]-N-methylbenzamide chloride.

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