5-Bromo-4-trifluoromethyl-pyrimidin-2-ylamine

C₅H₃BrF₃N₃CAS 935534-47-7242.00 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Primary amine

Properties

Molecular formula: C₅H₃BrF₃N₃
Molar mass: 242.00 g/mol
Exact mass: 240.9462 Da
logP: 1.84Crippen estimate
Polar surface area: 51.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

935534-47-7

SMILES

C1=C(C(=NC(=N1)N)C(F)(F)F)Br

InChIKey

FAMGPURZLOTOKD-UHFFFAOYSA-N

InChI

InChI=1S/C5H3BrF3N3/c6-2-1-11-4(10)12-3(2)5(7,8)9/h1H,(H2,10,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

5-Bromo-4-(trifluoromethyl)pyrimidin-2-amine

Work with 5-Bromo-4-trifluoromethyl-pyrimidin-2-ylamine

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

5-Bromo-6-trifluoromethyl-pyridin-2-ylamine882500-21-251 % similar 5-Bromo-4-chloropyrimidin-2-amine1044767-99-850 % similar 5-Bromo-4-methylpyrimidin-2-amine17321-93-650 % similar 2-Amino-4-(trifluoromethyl)pyrimidine16075-42-646 % similar 2-Amino-3-bromo-5-(trifluoromethyl)-pyridine79456-30-742 % similar 4-Bromo-3-(trifluoromethyl)-1H-pyrazole19968-17-339 % similar 5-Bromo-2-chloro-4-(trifluoromethyl)pyridine823221-93-838 % similar 3-Bromo-4-(trifluoromethyl)pyridine936841-70-238 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook