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78692-74-7 | 2,4(1H,3H)-Pyrimidinedione,1-[(2-hydroxyethoxy)methyl]-5-iodo-
CAS No: 78692-74-7 Catalog No: AG0051WE MDL No:
Product Description
Catalog Number:
AG0051WE
Chemical Name:
2,4(1H,3H)-Pyrimidinedione,1-[(2-hydroxyethoxy)methyl]-5-iodo-
CAS Number:
78692-74-7
Molecular Formula:
C7H9IN2O4
Molecular Weight:
312.0618
IUPAC Name:
1-(2-hydroxyethoxymethyl)-5-iodopyrimidine-2,4-dione
InChI:
InChI=1S/C7H9IN2O4/c8-5-3-10(4-14-2-1-11)7(13)9-6(5)12/h3,11H,1-2,4H2,(H,9,12,13)
InChI Key:
ZBGIVRIQQILFHY-UHFFFAOYSA-N
SMILES:
OCCOCn1cc(I)c(=O)[nH]c1=O
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.961g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.063g/mol
Monoisotopic Mass:
311.961g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
Literature
| Title | Journal |
|---|---|
| Studies on acyclic pyrimidines as inhibitors of mycobacteria. | Bioorganic & medicinal chemistry 20070301 |
| Inhibition of hepatitis B virus (HBV) replication by pyrimidines bearing an acyclic moiety: effect on wild-type and mutant HBV. | Journal of medicinal chemistry 20060323 |
| Nucleic acid related compounds. 47. Synthesis and biological activities of pyrimidine and purine 'acyclic' nucleoside analogues. | Journal of medicinal chemistry 19841101 |
| Pyrimidine acyclic nucleosides, 1-[(2-Hydroxyethoxy)methyl]pyrimidines as candidate antivirals. | Journal of medicinal chemistry 19810601 |
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