1-Boc-4-(4-aminopyrimidin-2-yl)piperazine


Chemical Name: 1-Boc-4-(4-aminopyrimidin-2-yl)piperazine
CAS Number: 1041054-18-5
Product Number: AG009228(AGN-PC-07XTIK)
Synonyms:
MDL No:
Molecular Formula: C13H21N5O2
Molecular Weight: 279.3381

Identification/Properties


Computed Properties
Molecular Weight:
279.344g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
279.17g/mol
Monoisotopic Mass:
279.17g/mol
Topological Polar Surface Area:
84.6A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
336
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



The tert-Butyl 4-(4-aminopyrimidin-2-yl)piperazine-1-carboxylate compound is a versatile building block used in chemical synthesis. It serves as a key intermediate in the creation of various pharmaceuticals, agrochemicals, and specialty chemicals. Specifically, this compound can be utilized in the synthesis of novel drug candidates targeting specific biological pathways or receptors. Its unique molecular structure allows for the introduction of functional groups and modifications that enhance the compound's pharmacological properties. In addition, tert-Butyl 4-(4-aminopyrimidin-2-yl)piperazine-1-carboxylate is valuable in the development of research tools and materials for biochemical studies and medicinal chemistry research. Its compatibility with a wide range of synthetic methodologies makes it a valuable asset for organic chemists seeking to expand their synthetic toolbox.