4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine

C₉H₁₂F₃N₃CAS 238742-83-1219.21 g/mol

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Properties

Molecular formula: C₉H₁₂F₃N₃
Molar mass: 219.21 g/mol
Exact mass: 219.0983 Da
logP: 2.21Crippen estimate
Polar surface area: 52.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Identifiers

CAS number

238742-83-1

SMILES

CC(C)(C)c1cc(C(F)(F)F)nc(=N)[nH]1

InChIKey

XIUFUZWOHSSRKX-UHFFFAOYSA-N

InChI

InChI=1S/C9H12F3N3/c1-8(2,3)5-4-6(9(10,11)12)15-7(13)14-5/h4H,1-3H3,(H2,13,14,15)

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Names and synonyms

1 names

2-Pyrimidinamine, 4-(1,1-dimethylethyl)-6-(trifluoromethyl)-

Work with 4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine

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

7-Chloro-2-(1,1-dimethylethyl)-5-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine175203-38-036 % similar 3-Amino-5-tert-butylpyrazole82560-12-135 % similar 2,3-Dihydro-2-thioxo-6-(trifluoromethyl)-4(1H)-pyrimidinone368-54-733 % similar 4,6-Difluoro-2-pyrimidinamine675-11-633 % similar 4-(Trifluoromethyl)-2-thiazolamine349-49-533 % similar 2-Amino-4,6-dimethylpyrimidine767-15-733 % similar 4,5,7-Trichloro-2-(trifluoromethyl)quinoline175203-41-532 % similar 2-(1,1-Dimethylethyl)-1H-indole1805-65-832 % similar

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

Elsewhere

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