6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione

C5H5ClN2O2CAS 18592-13-7160.56 g/mol

Open in Covalent MOL file
HOClNOHN
Alkyl halidePhenol

Properties

Molecular formula
C5H5ClN2O2
Molar mass
160.56 g/mol
Exact mass
160.0040 Da
Melting point
207–209 °C
logP
0.63Crippen estimate
Polar surface area
66.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
18592-13-7
SMILES
Oc1cc(CCl)nc(O)n1
InChIKey
VCFXBAPEXBTNEA-UHFFFAOYSA-N
InChI
InChI=1S/C5H5ClN2O2/c6-2-3-1-4(9)8-5(10)7-3/h1H,2H2,(H2,7,8,9,10)

Weigh it out

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

Names and synonyms

6 names
  • 2,4(1H,3H)-Pyrimidinedione, 6-(chloromethyl)-
  • Uracil, 6-(chloromethyl)-
  • 6-(Chloromethyl)uracil
  • 6-(Chloromethyl)pyrimidine-2,4(1H,3H)-dione
  • 6-(Chloromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
  • Uracyl chloride

Work with 6-(Chloromethyl)-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-Chlorouracil4270-27-350 % similar 6-Methyluracil626-48-245 % similar 6-Aminouracil873-83-645 % similar 3-Chloromethyl-1,2,4-triazolin-5-one252742-72-639 % similar Orotic acid65-86-139 % similar 2,6-Bis(chloromethyl)pyridine3099-28-337 % similar Orotic acid monohydrate50887-69-936 % similar Potassium orotate24598-73-035 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chloro-3-methyl-2,4(1H,3H)-pyrimidinedione4318-56-3 4-Chloro-5-methoxypyridazin-3(2H)-one63910-43-0

Elsewhere

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