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832075-95-3

832075-95-3 | 2-Pyrimidinamine, 4-(4-methyl-1-piperazinyl)-6-(2-thienyl)-

CAS No: 832075-95-3 Catalog No: AG004VL7 MDL No:

Product Description

Catalog Number:
AG004VL7
Chemical Name:
2-Pyrimidinamine, 4-(4-methyl-1-piperazinyl)-6-(2-thienyl)-
CAS Number:
832075-95-3
Molecular Formula:
C13H17N5S
Molecular Weight:
275.3726
IUPAC Name:
4-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidin-2-amine
InChI:
InChI=1S/C13H17N5S/c1-17-4-6-18(7-5-17)12-9-10(15-13(14)16-12)11-3-2-8-19-11/h2-3,8-9H,4-7H2,1H3,(H2,14,15,16)
InChI Key:
PZNKSQALNTWGIM-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1nc(N)nc(c1)c1cccs1

Properties

Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.12g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
275.374g/mol
Monoisotopic Mass:
275.12g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Literature

Title Journal
Syntheses of 2,4,6-trisubstituted pyrimidine derivatives as a new class of antifilarial topoisomerase II inhibitors. Bioorganic & medicinal chemistry letters 20050103

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