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1196993-69-7 | 4-Pyrimidinamine, 6-(4-methyl-1-piperazinyl)-N-(phenylmethyl)-
CAS No: 1196993-69-7 Catalog No: AG000PGJ MDL No:
Product Description
Catalog Number:
AG000PGJ
Chemical Name:
4-Pyrimidinamine, 6-(4-methyl-1-piperazinyl)-N-(phenylmethyl)-
CAS Number:
1196993-69-7
Molecular Formula:
C16H21N5
Molecular Weight:
283.3714
IUPAC Name:
N-benzyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
InChI:
InChI=1S/C16H21N5/c1-20-7-9-21(10-8-20)16-11-15(18-13-19-16)17-12-14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3,(H,17,18,19)
InChI Key:
PEJDGFJXQFGUPP-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ncnc(c1)NCc1ccccc1
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.18g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.379g/mol
Monoisotopic Mass:
283.18g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Discovery of a series of potent and selective human H4 antagonists using ligand efficiency and libraries to explore structure-activity relationship (SAR). | Bioorganic & medicinal chemistry letters 20111101 |
| 2,4-Diaminopyrimidines as histamine H4 receptor ligands--Scaffold optimization and pharmacological characterization. | Bioorganic & medicinal chemistry 20091015 |
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