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1383788-25-7 | 2,4,6-Pyrimidinetriamine, 5-iodo-
CAS No: 1383788-25-7 Catalog No: AG01FEFJ MDL No:
Product Description
Catalog Number:
AG01FEFJ
Chemical Name:
2,4,6-Pyrimidinetriamine, 5-iodo-
CAS Number:
1383788-25-7
Molecular Formula:
C4H6IN5
Molecular Weight:
251.0284
IUPAC Name:
5-iodopyrimidine-2,4,6-triamine
InChI:
InChI=1S/C4H6IN5/c5-1-2(6)9-4(8)10-3(1)7/h(H6,6,7,8,9,10)
InChI Key:
XLFIXROFGVGAED-UHFFFAOYSA-N
SMILES:
Nc1nc(N)c(c(n1)N)I
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.967g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
251.031g/mol
Monoisotopic Mass:
250.967g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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