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Home > Aldehydes > 919485-92-0
919485-92-0 | 5-Pyrimidinecarboxaldehyde, 4-amino-6-[(3-methyl-1H-indol-5-yl)oxy]-
CAS No: 919485-92-0 Catalog No: AG006IKJ MDL No:
Product Description
Catalog Number:
AG006IKJ
Chemical Name:
5-Pyrimidinecarboxaldehyde, 4-amino-6-[(3-methyl-1H-indol-5-yl)oxy]-
CAS Number:
919485-92-0
Molecular Formula:
C14H12N4O2
Molecular Weight:
268.2707
IUPAC Name:
4-amino-6-[(3-methyl-1H-indol-5-yl)oxy]pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C14H12N4O2/c1-8-5-16-12-3-2-9(4-10(8)12)20-14-11(6-19)13(15)17-7-18-14/h2-7,16H,1H3,(H2,15,17,18)
InChI Key:
AFSCNAMLXYJNIH-UHFFFAOYSA-N
SMILES:
O=Cc1c(ncnc1N)Oc1ccc2c(c1)c(C)c[nH]2
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.276g/mol
Monoisotopic Mass:
268.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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