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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

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

5-Bromo-4,6-dihydroxypyrimidine15726-38-253 % similar 4,6-Dihydroxy-5-methylpyrimidine63447-38-153 % similar 4,6-Dihydroxy-5-methoxypyrimidine5193-84-049 % similar 4-Amino-6-chloro-5-pyrimidinecarboxaldehyde14160-93-138 % similar 4,5-Diamino-6-hydroxypyrimidine1672-50-035 % similar 5-Methyl-1H-imidazole-4-carbaldehyde68282-53-135 % similar 9-Deazahypoxanthine5655-01-634 % similar Thieno(2,3-d)pyrimidin-4(3H)-one14080-50-333 % 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 3-Hydroxypyrazine-2-carboxylic acid20737-42-2 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-carboxamide3345-50-4 5-Hydroxypyrazine-2-carboxylic acid34604-60-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook