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157924-46-4 | 5-iodopyrimidine-2,4-diamine
CAS No: 157924-46-4 Catalog No: AG00HYGS MDL No:MFCD22570516
Product Description
Catalog Number:
AG00HYGS
Chemical Name:
5-iodopyrimidine-2,4-diamine
CAS Number:
157924-46-4
Molecular Formula:
C4H5IN4
Molecular Weight:
236.0138
MDL Number:
MFCD22570516
IUPAC Name:
5-iodopyrimidine-2,4-diamine
InChI:
InChI=1S/C4H5IN4/c5-2-1-8-4(7)9-3(2)6/h1H,(H4,6,7,8,9)
InChI Key:
RJQHTXXLHUXGRW-UHFFFAOYSA-N
SMILES:
Nc1ncc(c(n1)N)I
Properties
Complexity:
98.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.956g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.016g/mol
Monoisotopic Mass:
235.956g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Toward new therapeutics for skin and soft tissue infections: propargyl-linked antifolates are potent inhibitors of MRSA and Streptococcus pyogenes. | PloS one 20120101 |
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