chempirical

Ethyl 2-amino-4-(trifluoromethyl)-5-pyrimidinecarboxylate

C8H8F3N3O2CAS 149771-09-5235.17 g/mol

Open in Covalent MOL file
OONHNHNFFF
Alkyl halideEster

Properties

Molecular formula
C8H8F3N3O2
Molar mass
235.17 g/mol
Exact mass
235.0569 Da
logP
1.08Crippen estimate
Polar surface area
78.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
149771-09-5
SMILES
CCOC(=O)c1c[nH]c(=N)nc1C(F)(F)F
InChIKey
OUACXMUEZBQRBJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H8F3N3O2/c1-2-16-6(15)4-3-13-7(12)14-5(4)8(9,10)11/h3H,2H2,1H3,(H2,12,13,14)

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Names and synonyms

2 names
  • 5-Pyrimidinecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester
  • 2-Amino-4-trifluoromethylpyrimidine-5-carboxylic acid ethyl ester

Work with Ethyl 2-amino-4-(trifluoromethyl)-5-pyrimidinecarboxylate

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 2-amino-1,4-dihydro-4-oxo-5-pyrimidinecarboxylate15400-53-067 % similar 1-Methyl-3-trifluoromethylpyrazole-4-carboxylic acid ethyl ester111493-74-451 % similar Ethyl o-(trifluoromethyl)benzoate577-62-847 % similar Ethyl 4-hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylate23851-84-547 % similar Ethyl 3-amino-1H-pyrazole-4-carboxylate6994-25-845 % similar Ethyl indole-3-carboxylate776-41-043 % similar Ethyl 4-trifluoromethylbenzoate583-02-843 % similar Ethyl 2-amino-4-(trifluoromethyl)thiazole-5-carboxylate344-72-943 % similar

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

Same formula

1-Methyl-1-(2-nitro-4-(trifluoromethyl)phenyl)hydrazine120940-43-4

Elsewhere

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