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Home > Aldehydes > 919485-90-8
919485-90-8 | 5-Pyrimidinecarboxaldehyde, 4-amino-6-[(1-methyl-1H-indol-5-yl)oxy]-
CAS No: 919485-90-8 Catalog No: AG006IKK MDL No:
Product Description
Catalog Number:
AG006IKK
Chemical Name:
5-Pyrimidinecarboxaldehyde, 4-amino-6-[(1-methyl-1H-indol-5-yl)oxy]-
CAS Number:
919485-90-8
Molecular Formula:
C14H12N4O2
Molecular Weight:
268.2707
IUPAC Name:
4-amino-6-(1-methylindol-5-yl)oxypyrimidine-5-carbaldehyde
InChI:
InChI=1S/C14H12N4O2/c1-18-5-4-9-6-10(2-3-12(9)18)20-14-11(7-19)13(15)16-8-17-14/h2-8H,1H3,(H2,15,16,17)
InChI Key:
QJANROOJBKWNSE-UHFFFAOYSA-N
SMILES:
O=Cc1c(ncnc1N)Oc1ccc2c(c1)ccn2C
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:
1
Isotope Atom Count:
0
Molecular Weight:
268.276g/mol
Monoisotopic Mass:
268.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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