Ethyl 4-hydroxy-2-methylpyrimidine-5-carboxylate

C8H10N2O3CAS 53135-24-3182.18 g/mol

Open in Covalent MOL file
OONNHO
Ester

Properties

Molecular formula
C8H10N2O3
Molar mass
182.18 g/mol
Exact mass
182.0691 Da
logP
0.26Crippen estimate
Polar surface area
72.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
53135-24-3
SMILES
CCOC(=O)C1=CN=C(NC1=O)C
InChIKey
KTZQDIINDVWLES-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O3/c1-3-13-8(12)6-4-9-5(2)10-7(6)11/h4H,3H2,1-2H3,(H,9,10,11)

Weigh it out

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Names and synonyms

1 names
  • 4-Hydroxy-2-methyl-pyrimidine-5-carboxylic acid ethyl ester

Work with Ethyl 4-hydroxy-2-methylpyrimidine-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

Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate343-67-964 % similar Ethyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyrimidine-5-carboxylate154934-97-151 % similar Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate188781-08-050 % similar Ethyl 6-amino-1,2-dihydro-2-thioxo-5-pyrimidinecarboxylate774-07-250 % similar 4-Amino-2-methanethiopyrimidine-5-carboxylic acid ethyl ester776-53-449 % similar Ethyl 4-chloro-2-methylpyrimidine-5-carboxylate2134-36-349 % similar Ethyl 2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate3424-43-948 % similar Ethyl 2,4-dichloro-5-pyrimidinecarboxylate51940-64-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Dimethyl-4-nitro-2-pyridinemethanol149082-03-1 HC Yellow 24926-55-0 4-Ethoxy-2-nitroaniline616-86-4 4-Methoxy-2-methyl-6-nitroaniline684237-54-5 2,3,5-Trimethyl-4-nitropyridine 1-oxide86604-79-7

Elsewhere

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