Compound C18H22ClN5OS

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

CAS: 63731-98-6

Molecular Formula	`C18H22ClN5OS`
Molecular Weight	391.9 g/mol
LogP	3.3
Topological Polar Surface Area	77.9 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	391.12335
Heavy Atoms	26
Complexity	470.0

Chemical Identifiers

CAS Number	63731-98-6
SMILES	`CN1CCN(CC1)C2=C(C(=NC(=N2)N(C)C(=O)C3=CC=CC=C3)Cl)SC`
InChIKey	`AUBHNGLUDGIHLK-UHFFFAOYSA-N`

📖 Product Overview

Compound C18H22ClN5OS (CAS: 63731-98-6) is a chemical compound with molecular formula C18H22ClN5OS and molecular weight 391.9 g/mol. Its IUPAC systematic name is N-[4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-yl]-N-methylbenzamide. LogP 3.3 Topological Polar Surface Area 77.9 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 4 Exact Mass 391.12335 Heavy Atoms 26 Complexity 470.0 InChI Key: AUBHNGLUDGIHLK-UHFFFAOYSA-N. SMILES: CN1CCN(CC1)C2=C(C(=NC(=N2)N(C)C(=O)C3=CC=CC=C3)Cl)SC.

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