2-Pyrimidinecarboxylicacid,5-methyl-,methylester(6ci,9ci)

C7H8N2O2CAS 76196-80-0152.15 g/mol

Open in Covalent MOL file
NNOO
Ester

Properties

Molecular formula
C7H8N2O2
Molar mass
152.15 g/mol
Exact mass
152.0586 Da
logP
0.57Crippen estimate
Polar surface area
52.1 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
76196-80-0
SMILES
CC1=CN=C(N=C1)C(=O)OC
InChIKey
WBEDYPRLVFMBSD-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O2/c1-5-3-8-6(9-4-5)7(10)11-2/h3-4H,1-2H3

Weigh it out

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Names and synonyms

1 names
  • Methyl 5-methylpyrimidine-2-carboxylate

Work with 2-Pyrimidinecarboxylicacid,5-methyl-,methylester(6ci,9ci)

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

Methyl 5-bromopyrimidine-2-carboxylate89581-38-465 % similar Methyl 2-pyrimidinecarboxylate34253-03-760 % similar 2,3-Dimethyl 5-methyl-2,3-pyridinedicarboxylate112110-16-457 % similar Methyl 5-methylpyridine-3-carboxylate29681-45-651 % similar Methyl 1H-1,2,4-triazole-5-carboxylate4928-88-550 % similar Methyl p-toluate99-75-250 % similar 5-Methylpyrimidine-2-carboxylic acid99420-75-450 % similar Methyl 6-methylnicotinate5470-70-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Methyl-4-nitroaniline100-15-2 4-Methyl-3-nitroaniline119-32-4 Methyl 2-aminopyridine-3-carboxylate14667-47-1 2,6-Dimethyl-3-nitropyridine15513-52-7 4,6-Dimethylpyrimidine-5-carboxylic acid157335-93-8 Methyl 4-aminopyridine-3-carboxylate16135-36-7 6-Amino-4-methyl-3-pyridinecarboxylic acid179555-11-4 1-Methyl-2-(2-nitroethenyl)-pyrrole3156-50-1

Elsewhere

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