methyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate


Chemical Name: methyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoate
CAS Number: 917392-54-2
Product Number: AG0036YM(AGN-PC-01LQ59)
Synonyms:
MDL No:
Molecular Formula: C18H16N4O2
Molecular Weight: 320.3452

Identification/Properties


Properties
MP:
148 - 150°C
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
320.352g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
320.127g/mol
Monoisotopic Mass:
320.127g/mol
Topological Polar Surface Area:
77A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
420
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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