Ethyl 2-amino-4-(trifluoromethyl)-5-pyrimidinecarboxylate
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
Hazards
Warning
- H302 Harmful if swallowed20% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 5 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
149771-09-5SMILES
CCOC(=O)c1c[nH]c(=N)nc1C(F)(F)FInChIKey
OUACXMUEZBQRBJ-UHFFFAOYSA-NInChI
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)Weigh it out
Type any one amount. The others follow from the molar mass.
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
Similar compounds
Ethyl 2-amino-1,4-dihydro-4-oxopyrimidine-5-carboxylate15400-53-067 % similar
Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate187035-79-656 % similar
Ethyl 2-(Trifluoromethyl)nicotinate208517-35-552 % similar
1-Methyl-3-trifluoromethylpyrazole-4-carboxylic acid ethyl ester111493-74-451 % similar
Ethyl 3-(trifluoromethyl)pyrazole-4-carboxylate155377-19-850 % similar
Ethyl o-(trifluoromethyl)benzoate577-62-847 % similar
Ethyl 4-hydroxy-8-(trifluoromethyl)-3-quinolinecarboxylate23851-84-547 % similar
Ethyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyrimidine-5-carboxylate154934-97-146 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.