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16597-44-7 | 5-Pyrimidinecarboxaldehyde, 2,4-diamino-6-[(4-iodophenyl)amino]-
CAS No: 16597-44-7 Catalog No: AG001WG0 MDL No:
Product Description
Catalog Number:
AG001WG0
Chemical Name:
5-Pyrimidinecarboxaldehyde, 2,4-diamino-6-[(4-iodophenyl)amino]-
CAS Number:
16597-44-7
Molecular Formula:
C11H10IN5O
Molecular Weight:
355.1345
IUPAC Name:
2,4-diamino-6-(4-iodoanilino)pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C11H10IN5O/c12-6-1-3-7(4-2-6)15-10-8(5-18)9(13)16-11(14)17-10/h1-5H,(H5,13,14,15,16,17)
InChI Key:
WKNAVAUBEFQIPL-UHFFFAOYSA-N
SMILES:
O=Cc1c(Nc2ccc(cc2)I)nc(nc1N)N
NSC Number:
104160
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.993g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
355.139g/mol
Monoisotopic Mass:
354.993g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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