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

C₅H₅ClN₂O₂CAS 18592-13-7160.56 g/mol

Open in Covalent MOL file

Alkyl halide Phenol

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 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

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-Aminouracil873-83-645 % similar 3-Chloromethyl-1,2,4-triazolin-5-one252742-72-639 % similar Orotic acid65-86-139 % similar Orotic acid monohydrate50887-69-936 % similar Potassium orotate24598-73-035 % similar Lithium orotate5266-20-635 % similar Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate6153-44-235 % 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

Elsewhere

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