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121749-84-6 | 2,4(1H,3H)-Pyrimidinedione, 1-[(2-hydroxyethoxy)methyl]-6-iodo-
CAS No: 121749-84-6 Catalog No: AG0015PV MDL No:
Product Description
Catalog Number:
AG0015PV
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-[(2-hydroxyethoxy)methyl]-6-iodo-
CAS Number:
121749-84-6
Molecular Formula:
C7H9IN2O4
Molecular Weight:
312.0618
IUPAC Name:
1-(2-hydroxyethoxymethyl)-6-iodopyrimidine-2,4-dione
InChI:
InChI=1S/C7H9IN2O4/c8-5-3-6(12)9-7(13)10(5)4-14-2-1-11/h3,11H,1-2,4H2,(H,9,12,13)
InChI Key:
QTJFTAKEXZDOEP-UHFFFAOYSA-N
SMILES:
OCCOCn1c(I)cc(=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 |
|---|---|
| A novel lead for specific anti-HIV-1 agents: 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine. | Journal of medicinal chemistry 19891201 |
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