2-Amino-4-[3,5-bis(trifluoromethyl)phenyl]amino-1,3,5-triazine

C₁₁H₇F₆N₅CAS 66088-50-4323.20 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine Secondary amine

Properties

Molecular formula: C₁₁H₇F₆N₅
Molar mass: 323.20 g/mol
Exact mass: 323.0606 Da
logP: 3.24Crippen estimate
Polar surface area: 76.7 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

66088-50-4

SMILES

C1=C(C=C(C=C1C(F)(F)F)NC2=NC=NC(=N2)N)C(F)(F)F

InChIKey

XHHILSKOTPAJFK-UHFFFAOYSA-N

InChI

InChI=1S/C11H7F6N5/c12-10(13,14)5-1-6(11(15,16)17)3-7(2-5)21-9-20-4-19-8(18)22-9/h1-4H,(H3,18,19,20,21,22)

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Work with 2-Amino-4-[3,5-bis(trifluoromethyl)phenyl]amino-1,3,5-triazine

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-Amino-4-(2-fluorophenylamino)-1,3,5-triazine66088-45-744 % similar [3,5-Bis(trifluoromethyl)phenyl]hydrazine886-35-143 % similar (3,5-Bis(trifluoromethyl)phenyl)hydrazine hydrochloride502496-23-340 % similar 3,5-Bis(trifluoromethyl)benzenamine328-74-538 % similar 1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea175277-17-537 % similar 1,3,5-Tris(trifluoromethyl)benzene729-81-736 % similar 2-Amino-4-(trifluoromethyl)pyrimidine16075-42-636 % similar 3,5-Bis(trifluoromethyl)-N-ethylaniline49850-16-036 % similar

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

Elsewhere

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