4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, zinc salt (2:1)

C₅H₂N₂O₄ZnCAS 68399-76-8219.46 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol

Properties

Molecular formula: C₅H₂N₂O₄Zn
Molar mass: 219.46 g/mol
Exact mass: 217.9306 Da
logP: -0.42Crippen estimate
Polar surface area: 103.5 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 1

Identifiers

CAS number

68399-76-8

SMILES

[O-]C(=O)c1cc([O-])nc(O)n1.[Zn+2]

InChIKey

GSCDMEHILVOYGH-UHFFFAOYSA-N

InChI

InChI=1S/C5H4N2O4.Zn/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);

Weigh it out

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

Work with 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, zinc salt (2:1)

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

Magnesium orotate34717-03-862 % similar Potassium orotate24598-73-056 % similar Lithium orotate5266-20-656 % similar Zinc picolinate17949-65-439 % similar Orotic acid65-86-136 % similar Orotic acid monohydrate50887-69-933 % similar Zinc benzoate553-72-033 % similar Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate6153-44-233 % similar

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

Elsewhere

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