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

C₉H₁₂F₃N₃CAS 238742-83-1219.21 g/mol

Open in Covalent MOL file

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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

5-(tert-Butyl)-3-(trifluoromethyl)-1H-pyrazole150433-22-045 % similar 2-Amino-4-hydroxy-6-trifluoromethylpyrimidine1513-69-538 % similar 4-Hydroxy-2-methyl-6-(trifluoromethyl)pyrimidine2836-44-438 % similar 3,5-Bis(trifluoromethyl)pyrazole14704-41-738 % similar 2-(Methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-ol16097-62-436 % similar 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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