chempirical

4,6-Dihydroxy-5-formylpyrimidine

C5H4N2O3CAS 14256-99-6140.10 g/mol

Open in Covalent MOL file
NOHNOOH
AldehydePhenol

Properties

Molecular formula
C5H4N2O3
Molar mass
140.10 g/mol
Exact mass
140.0222 Da
logP
-0.71Crippen estimate
Polar surface area
83.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Identifiers

CAS number
14256-99-6
SMILES
C1=NC(=C(C(=O)N1)C=O)O
InChIKey
LJMXTWXGOCCHQO-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N2O3/c8-1-3-4(9)6-2-7-5(3)10/h1-2H,(H2,6,7,9,10)

Weigh it out

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

Work with 4,6-Dihydroxy-5-formylpyrimidine

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

4-Amino-6-chloro-5-pyrimidinecarboxaldehyde14160-93-138 % similar Thieno(2,3-d)pyrimidin-4(3H)-one14080-50-333 % similar 3H,4H-Thieno[3,2-d]pyrimidin-4-one16234-10-933 % similar 2,6-Dihydroxybenzaldehyde387-46-232 % similar 1H-Benzimidazole-6-carboxaldehyde58442-17-432 % similar Hypoxanthine68-94-032 % similar Imidazole-2-carboxaldehyde10111-08-731 % similar Imidazole-4-carboxaldehyde3034-50-231 % similar

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

Same formula

4-Nitropyridine-N-oxide1124-33-0 5-Formyluracil1195-08-0 3-Nitro-2(3H)-pyridinone137280-55-8 3-Hydroxy-2-nitropyridine15128-08-2 3-Hydroxy-2-nitropyridine15128-82-2 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-carboxamide3345-50-4 5-Hydroxypyrazine-2-carboxylic acid34604-60-9 4-Nitro-2(1H)-pyridinone4487-51-8

Elsewhere

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