Pyrimidine-4-carboxylic acid methyl ester

C₆H₆N₂O₂CAS 2450-08-0138.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₆N₂O₂
Molar mass: 138.13 g/mol
Exact mass: 138.0429 Da
logP: 0.26Crippen estimate
Polar surface area: 52.1 Å²
H-bond donors / acceptors: 0 / 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

2450-08-0

SMILES

COC(=O)C1=NC=NC=C1

InChIKey

GXZQHMHLHHUHAM-UHFFFAOYSA-N

InChI

InChI=1S/C6H6N2O2/c1-10-6(9)5-2-3-7-4-8-5/h2-4H,1H3

Weigh it out

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Names and synonyms

1 names

Methyl pyrimidine-4-carboxylate

Work with Pyrimidine-4-carboxylic acid methyl ester

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

Ethyl pyrimidine-4-carboxylate62846-82-663 % similar Methyl picolinate2459-07-661 % similar Methyl isonicotinate2459-09-856 % similar Methyl 2-pyrazinecarboxylate6164-79-056 % similar Methyl 5-fluoropyridine-2-carboxylate107504-07-456 % similar Methyl 2-chloropyrimidine-4-carboxylate149849-94-556 % similar Dimethyl pyridine-2,5-dicarboxylate881-86-754 % similar Dimethyl 2,6-pyridinedicarboxylate5453-67-852 % similar

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

Same formula

4-Nitroaniline100-01-6 4-Aminopicolinic acid100047-36-7 Urocanic acid104-98-3 Benzoquinone dioxime105-11-3 5-Methyl-2-nitropyridine1074-38-0 2-Aminopyridine-4-carboxylic acid13362-28-2 2-Methyl-4-nitropyridine13508-96-8 2-Methyl-4-pyrimidinecarboxylic acid13627-49-1

Elsewhere

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