1,3-Benzenediamine, 4-methyl-N3-[4-(3-pyridinyl)-2-pyrimidinyl]-


Chemical Name: 1,3-Benzenediamine, 4-methyl-N3-[4-(3-pyridinyl)-2-pyrimidinyl]-
CAS Number: 152460-10-1
Product Number: AG003440(AGN-PC-0MWFRL)
Synonyms:
MDL No: MFCD09028125
Molecular Formula: C16H15N5
Molecular Weight: 277.3238

Identification/Properties


Properties
MP:
133-135 °C
BP:
537.3°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
277.331g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
277.133g/mol
Monoisotopic Mass:
277.133g/mol
Topological Polar Surface Area:
76.7A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
324
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-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



N-(5-Amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidineamine is a key compound widely utilized in chemical synthesis as a versatile building block. Its unique structure and reactivity make it an essential component in the creation of various complex organic molecules. In chemical synthesis, this compound serves as a valuable intermediate for the preparation of diverse pharmaceuticals, agrochemicals, and specialty chemicals. Its involvement in cross-coupling reactions, metal-catalyzed transformations, and other synthetic methodologies highlights its significance in expanding the scope of organic chemistry research. Forming crucial bonds and functional groups, N-(5-Amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidineamine is a fundamental player in the construction of intricate molecular structures with potential applications across multiple industries.