Home Carboxys Ethyl 2-(2-(methylamino)pyrimidin-4-yl)-1h-indole-5-carboxylate

Ethyl 2-(2-(methylamino)pyrimidin-4-yl)-1h-indole-5-carboxylate

CAS No.:
916486-06-1
Catalog Number:
AG00H1L9
Molecular Formula:
C16H16N4O2
Molecular Weight:
296.3238
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Product Description
Catalog Number:
AG00H1L9
Chemical Name:
Ethyl 2-(2-(methylamino)pyrimidin-4-yl)-1h-indole-5-carboxylate
CAS Number:
916486-06-1
Molecular Formula:
C16H16N4O2
Molecular Weight:
296.3238
MDL Number:
MFCD17018712
IUPAC Name:
ethyl 2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxylate
InChI:
InChI=1S/C16H16N4O2/c1-3-22-15(21)10-4-5-12-11(8-10)9-14(19-12)13-6-7-18-16(17-2)20-13/h4-9,19H,3H2,1-2H3,(H,17,18,20)
InChI Key:
RRQRYXWYEZKEBT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)cc([nH]2)c1ccnc(n1)NC
Properties
Complexity:
392  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.127g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
296.33g/mol
Monoisotopic Mass:
296.127g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties