chempirical

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

C6H7ClN2O2CAS 6972-27-6174.58 g/mol

Open in Covalent MOL file
NClONO
Aryl halide

Properties

Molecular formula
C6H7ClN2O2
Molar mass
174.58 g/mol
Exact mass
174.0196 Da
Melting point
111 °C
logP
-0.26Crippen estimate
Polar surface area
44.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
6972-27-6
SMILES
Cn1c(Cl)cc(=O)n(C)c1=O
InChIKey
VATQPUHLFQHDBD-UHFFFAOYSA-N
InChI
InChI=1S/C6H7ClN2O2/c1-8-4(7)3-5(10)9(2)6(8)11/h3H,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • 2,4(1H,3H)-Pyrimidinedione, 6-chloro-1,3-dimethyl-
  • Uracil, 6-chloro-1,3-dimethyl-
  • 1,3-Dimethyl-6-chlorouracil
  • 6-Chloro-1,3-dimethyluracil
  • 4-Chloro-1,3-dimethyluracil
  • 6-Chloro-1,3-dimethyl-2,4-dioxopyrimidine
  • 6-Chloro-1,3-dimethylpyrimidine-2,4-dione
  • NSC 61919
  • 6-Chloro-1,3-dimethylpyrimidine-2,4(1H,3H)-dione

Work with 6-Chloro-1,3-dimethyl-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-Amino-1,3-dimethyluracil6642-31-555 % similar 6-[(3-Chloropropyl)amino]-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione34654-81-446 % similar 1,3-Dimethyluracil874-14-642 % similar 6-Chloro-3-methyl-2,4(1H,3H)-pyrimidinedione4318-56-341 % similar Methylchloroisothiazolinone26172-55-434 % similar 4-Hydroxy-1-methyl-2(1H)-quinolinone1677-46-933 % similar Caffeine58-08-233 % similar Theacrine2309-49-132 % similar

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

Same formula

4-Aminopyridine-2-carboxylic acid hydrochloride1291487-29-0 2-Chloro-4,6-dimethoxypyrimidine13223-25-1 4-Chloro-2,6-dimethoxypyrimidine6320-15-6

Elsewhere

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