2-Amino-4-(trifluoromethyl)pyrimidine

C₅H₄F₃N₃CAS 16075-42-6163.10 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₅H₄F₃N₃
Molar mass: 163.10 g/mol
Exact mass: 163.0357 Da
logP: 1.08Crippen estimate
Polar surface area: 51.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Danger

H300 Fatal if swallowed92% of notifiers
H319 Causes serious eye irritation100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled92% of notifiers
H335 May cause respiratory irritation44% of notifiers
H400 Very toxic to aquatic life92% of notifiers

Aggregated from 75 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P304+P340, P305+P351+P338, P319, P321, P330, P337+P317, P342+P316, P391, P403, P403+P233, P405, P501

Identifiers

CAS number

16075-42-6

SMILES

C1=CN=C(N=C1C(F)(F)F)N

InChIKey

NKOTXYPTXKUCDL-UHFFFAOYSA-N

InChI

InChI=1S/C5H4F3N3/c6-5(7,8)3-1-2-10-4(9)11-3/h1-2H,(H2,9,10,11)

Weigh it out

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

Work with 2-Amino-4-(trifluoromethyl)pyrimidine

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

2-Chloro-4-(trifluoromethyl)pyrimidine33034-67-257 % similar 2-Hydrazino-4-(trifluoromethyl)pyrimidine197305-97-856 % similar 2-Bromo-4-(trifluoro methyl)pryrimidine785777-87-955 % similar 4-Amino-2-trifluoromethylpyridine147149-98-250 % similar 5-Amino-2-(trifluoromethyl)pyridine106877-33-247 % similar 2-Amino-6-(trifluoromethyl)pyridine34486-24-347 % similar 2,6-Bis(trifluoromethyl)pyridine455-00-546 % similar 5-Bromo-4-trifluoromethyl-pyrimidin-2-ylamine935534-47-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-(Trifluoromethyl)pyrimidin-4-amine672-41-3 2-Amino-5-(trifluoromethyl)pyrazine69816-38-2

Elsewhere

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