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827042-52-4 | 4-Pyrimidinecarboxamide, 6-(3-aminophenoxy)-N-methyl-
CAS No: 827042-52-4 Catalog No: AG0050V1 MDL No:
Product Description
Catalog Number:
AG0050V1
Chemical Name:
4-Pyrimidinecarboxamide, 6-(3-aminophenoxy)-N-methyl-
CAS Number:
827042-52-4
Molecular Formula:
C12H12N4O2
Molecular Weight:
244.2493
IUPAC Name:
6-(3-aminophenoxy)-N-methylpyrimidine-4-carboxamide
InChI:
InChI=1S/C12H12N4O2/c1-14-12(17)10-6-11(16-7-15-10)18-9-4-2-3-8(13)5-9/h2-7H,13H2,1H3,(H,14,17)
InChI Key:
GCLKXTOOAPBDBW-UHFFFAOYSA-N
SMILES:
CNC(=O)c1ncnc(c1)Oc1cccc(c1)N
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.254g/mol
Monoisotopic Mass:
244.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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