chempirical

2,4-Dimethoxypyrimidine-5-carbaldehyde

C7H8N2O3CAS 52606-02-7168.15 g/mol

Open in Covalent MOL file
ONNOO
AldehydeEther

Properties

Molecular formula
C7H8N2O3
Molar mass
168.15 g/mol
Exact mass
168.0535 Da
logP
0.31Crippen estimate
Polar surface area
61.3 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
3

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
52606-02-7
SMILES
COC1=NC(=NC=C1C=O)OC
InChIKey
AJTAWJHBACJZAL-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O3/c1-11-6-5(4-10)3-8-7(9-6)12-2/h3-4H,1-2H3

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Names and synonyms

1 names
  • 5-Formyl-2,4-dimethoxypyrimidine

Work with 2,4-Dimethoxypyrimidine-5-carbaldehyde

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

2-Methoxy-pyrimidine-5-carbaldehyde90905-32-156 % similar 5-Iodo-2,4-dimethoxypyrimidine52522-99-351 % similar 5-Bromo-2,4-dimethoxypyrimidine56686-16-951 % similar 6-Chloro-2-methoxy-3-pyridinecarboxaldehyde95652-81-650 % similar 5-Bromo-2-methoxypyridine-3-carbaldehyde103058-87-349 % similar 5-Fluoro-2-methoxynicotinaldehyde351410-62-349 % similar 2-Methoxypyridine-3-carbaldehyde71255-09-949 % similar (2,4-Dimethoxypyrimidin-5-yl)boronic acid89641-18-947 % similar

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

Same formula

2-Methoxy-6-methyl-3-nitropyridine112163-03-8 2,4-Dihydroxybenzhydrazide13221-86-8 3,5-Dimethyl-4-nitropyridine 1-oxide14248-66-9 5-Methoxy-2-nitrobenzenamine16133-49-6 2-Methoxy-6-nitrobenzenamine16554-45-3 2-Hydroxymethyl-3-methyl-4-nitropyridine168167-49-5 4-Ethoxy-3-nitropyridine1796-84-5 5-Amino-2-methoxy-4-pyridinecarboxylic acid183741-91-5

Elsewhere

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