chempirical

Methyl pyrimidine-5-carboxylate

C6H6N2O2CAS 34253-01-5138.13 g/mol

Open in Covalent MOL file
OONN
Ester

Properties

Molecular formula
C6H6N2O2
Molar mass
138.13 g/mol
Exact mass
138.0429 Da
logP
0.26Crippen estimate
Polar surface area
52.1 Ų
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
34253-01-5
SMILES
COC(=O)C1=CN=CN=C1
InChIKey
XMVNUAHPLDBEJH-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O2/c1-10-6(9)5-2-7-4-8-3-5/h2-4H,1H3

Weigh it out

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Work with Methyl pyrimidine-5-carboxylate

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

1-(Pyrimidin-5-yl)ethan-1-one10325-70-946 % similar 2-Chloromethylpyridine-5-carboxylic acid methyl ester49668-90-846 % similar 2-Bromo-isonicotinic acid methyl ester26156-48-944 % similar 1,4-Dimethyl 2-bromo-1,4-benzenedicarboxylate18643-86-242 % similar 1H-Pyrazole-3-carboxylicacid,4-amino-,methylester(9ci)360056-45-742 % similar 2,3-Dimethyl 5-methyl-2,3-pyridinedicarboxylate112110-16-441 % similar 2-Amino-3-(methoxycarbonyl)pyrazine16298-03-640 % similar 1-Methyl 5-amino-1,3-benzenedicarboxylate28179-47-739 % 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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