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1239738-87-4 | 4-Pyrimidinamine, 5-iodo-2-methyl-
CAS No: 1239738-87-4 Catalog No: AG000LB5 MDL No:
Product Description
Catalog Number:
AG000LB5
Chemical Name:
4-Pyrimidinamine, 5-iodo-2-methyl-
CAS Number:
1239738-87-4
Molecular Formula:
C5H6IN3
Molecular Weight:
235.0257
IUPAC Name:
5-iodo-2-methylpyrimidin-4-amine
InChI:
InChI=1S/C5H6IN3/c1-3-8-2-4(6)5(7)9-3/h2H,1H3,(H2,7,8,9)
InChI Key:
TWNRXGLTMILAOX-UHFFFAOYSA-N
SMILES:
Cc1ncc(c(n1)N)I
Properties
Complexity:
98.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.961g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.028g/mol
Monoisotopic Mass:
234.961g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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