chempirical

6-Chloro-3-methyl-2,4(1H,3H)-pyrimidinedione

C5H5ClN2O2CAS 4318-56-3160.56 g/mol

Open in Covalent MOL file
NHONClO
Aryl halidePhenol

Properties

Molecular formula
C5H5ClN2O2
Molar mass
160.56 g/mol
Exact mass
160.0040 Da
Melting point
277–279 °C
logP
0.14Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
4318-56-3
SMILES
Cn1c(O)nc(Cl)cc1=O
InChIKey
SGLXGFAZAARYJY-UHFFFAOYSA-N
InChI
InChI=1S/C5H5ClN2O2/c1-8-4(9)2-3(6)7-5(8)10/h2H,1H3,(H,7,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 2,4(1H,3H)-Pyrimidinedione, 6-chloro-3-methyl-
  • Uracil, 6-chloro-3-methyl-
  • 6-Chloro-3-methyluracil
  • 3-Methyl-6-chlorouracil
  • 6-Chloro-3-methylpyrimidine-2,4(1H,3H)-dione
  • NSC 55976
  • 6-Chloro-3-methylpyrimidine-2,4-dione
  • 6-Chloro-2-hydroxy-3-methylpyrimidin-4(3H)-one

Work with 6-Chloro-3-methyl-2,4(1H,3H)-pyrimidinedione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione6972-27-641 % similar 2,6-Dichloro-4-pyridinol17228-74-936 % similar Paraxanthine611-59-636 % similar 1-Methylxanthine6136-37-436 % similar 4-Hydroxy-1-methyl-2(1H)-quinolinone1677-46-936 % similar 2,4,6-Trichloropyrimidine3764-01-035 % similar 2,6-Dichloroisonicotinic acid5398-44-734 % similar 6-Amino-1-methyluracil2434-53-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione18592-13-7

Elsewhere

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