ethyl 2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxylate


Chemical Name: ethyl 2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxylate
CAS Number: 916486-06-1
Product Number: AG00H1L9(AGN-PC-0D4HYX)
Synonyms:
MDL No:
Molecular Formula: C16H16N4O2
Molecular Weight: 296.3238

Identification/Properties


Computed Properties
Molecular Weight:
296.33g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
296.127g/mol
Monoisotopic Mass:
296.127g/mol
Topological Polar Surface Area:
79.9A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
392
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:
P280-P305+P351+P338-P310
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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