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26305-13-5 | 2,4(1H,3H)-Pyrimidinedione, 5,6-dimethyl-
CAS No: 26305-13-5 Catalog No: AG002SNK MDL No:MFCD00010708
Product Description
Catalog Number:
AG002SNK
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5,6-dimethyl-
CAS Number:
26305-13-5
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD00010708
IUPAC Name:
5,6-dimethyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C6H8N2O2/c1-3-4(2)7-6(10)8-5(3)9/h1-2H3,(H2,7,8,9,10)
InChI Key:
PZVLJGKJIMBYNP-UHFFFAOYSA-N
SMILES:
Cc1[nH]c(=O)[nH]c(=O)c1C
EC Number:
247-601-6
UNII:
2SHU0QC17F
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Identifying chelators for metalloprotein inhibitors using a fragment-based approach. | Journal of medicinal chemistry 20110127 |
| The acidity of uracil and uracil analogs in the gas phase: four surprisingly acidic sites and biological implications. | Journal of the American Society for Mass Spectrometry 20020801 |
| Design, synthesis, and characterization of the antitumor activity of novel ceramide analogues. | Journal of medicinal chemistry 20011108 |
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