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189744-35-2 | 4-Pyrimidinamine, 5-[[4-(4-chlorophenyl)-1-piperazinyl]methyl]-2-methyl-
CAS No: 189744-35-2 Catalog No: AG002DWX MDL No:
Product Description
Catalog Number:
AG002DWX
Chemical Name:
4-Pyrimidinamine, 5-[[4-(4-chlorophenyl)-1-piperazinyl]methyl]-2-methyl-
CAS Number:
189744-35-2
Molecular Formula:
C16H20ClN5
Molecular Weight:
317.8165
IUPAC Name:
5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrimidin-4-amine
InChI:
InChI=1S/C16H20ClN5/c1-12-19-10-13(16(18)20-12)11-21-6-8-22(9-7-21)15-4-2-14(17)3-5-15/h2-5,10H,6-9,11H2,1H3,(H2,18,19,20)
InChI Key:
GJSSBHPBQILJIY-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)N1CCN(CC1)Cc1cnc(nc1N)C
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.141g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.821g/mol
Monoisotopic Mass:
317.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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