2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine

C₉H₁₁F₃N₄CAS 179756-91-3232.21 g/mol

Open in Covalent MOL file

Alkyl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₉H₁₁F₃N₄
Molar mass: 232.21 g/mol
Exact mass: 232.0936 Da
logP: 0.90Crippen estimate
Polar surface area: 41.0 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Identifiers

CAS number

179756-91-3

SMILES

C1CN(CCN1)C2=NC=CC(=N2)C(F)(F)F

InChIKey

WBJVPAABGFBMJQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H11F3N4/c10-9(11,12)7-1-2-14-8(15-7)16-5-3-13-4-6-16/h1-2,13H,3-6H2

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Names and synonyms

1 names

1-(4-Trifluoromethylpyrimidin-2-yl)piperazine

Work with 2-(Piperazin-1-yl)-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

1-[4-(Trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane238403-48-089 % similar Pyrimidinylpiperazine20980-22-750 % similar 1-[3-(Trifluoromethyl)-2-pyridinyl]piperazine87394-63-649 % similar 1-(5-Trifluoromethyl-pyridin-2-yl)-piperazine132834-58-347 % similar 2-(1-Piperazinyl)pyrimidine dihydrochloride94021-22-446 % similar 2-Hydrazino-4-(trifluoromethyl)pyrimidine197305-97-845 % similar 1-[4-(Trifluoromethyl)phenyl]piperazine30459-17-745 % similar 2-Chloro-4-(trifluoromethyl)pyrimidine33034-67-245 % similar

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

Elsewhere

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