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131194-11-1 | 2,4(1H,3H)-PYRIMIDINEDIONE, 6-CHLORO-1-[(2-HYDROXYETHOXY)METHYL]-5-METHYL-
CAS No: 131194-11-1 Catalog No: AG000VON MDL No:
Product Description
Catalog Number:
AG000VON
Chemical Name:
2,4(1H,3H)-PYRIMIDINEDIONE, 6-CHLORO-1-[(2-HYDROXYETHOXY)METHYL]-5-METHYL-
CAS Number:
131194-11-1
Molecular Formula:
C8H11ClN2O4
Molecular Weight:
234.6369
IUPAC Name:
6-chloro-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C8H11ClN2O4/c1-5-6(9)11(4-15-3-2-12)8(14)10-7(5)13/h12H,2-4H2,1H3,(H,10,13,14)
InChI Key:
APOHMHSJHSNWMU-UHFFFAOYSA-N
SMILES:
Cc1c(Cl)n(COCCO)c(=O)[nH]c1=O
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.636g/mol
Monoisotopic Mass:
234.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| A new class of HIV-1-specific 6-substituted acyclouridine derivatives: synthesis and anti-HIV-1 activity of 5- or 6-substituted analogues of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT). | Journal of medicinal chemistry 19910101 |
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