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131194-01-9 | 2,4(1H,3H)-Pyrimidinedione, 6-(cyclohexyloxy)-1-[(2-hydroxyethoxy)methyl]-5-methyl-
CAS No: 131194-01-9 Catalog No: AG000VOQ MDL No:
Product Description
Catalog Number:
AG000VOQ
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-(cyclohexyloxy)-1-[(2-hydroxyethoxy)methyl]-5-methyl-
CAS Number:
131194-01-9
Molecular Formula:
C14H22N2O5
Molecular Weight:
298.3349
IUPAC Name:
6-cyclohexyloxy-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C14H22N2O5/c1-10-12(18)15-14(19)16(9-20-8-7-17)13(10)21-11-5-3-2-4-6-11/h11,17H,2-9H2,1H3,(H,15,18,19)
InChI Key:
XAYVVJOKXOCCKM-UHFFFAOYSA-N
SMILES:
OCCOCn1c(OC2CCCCC2)c(C)c(=O)[nH]c1=O
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.153g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.339g/mol
Monoisotopic Mass:
298.153g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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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