2-Methyl-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-propanol

C₁₉H₁₇F₆N₇OCAS 1446502-11-9473.38 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₁₉H₁₇F₆N₇O
Molar mass: 473.38 g/mol
Exact mass: 473.1399 Da
logP: 3.14Crippen estimate
Polar surface area: 115.2 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 4

Hazards

Danger

H360 May damage fertility or the unborn child50% of notifiers
H361f Suspected of damaging fertility50% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers
H413 May cause long lasting harmful effects to aquatic life50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P273, P280, P318, P319, P405, P501

Identifiers

CAS number

1446502-11-9

SMILES

CC(C)(O)CN=c1nc(-c2cccc(C(F)(F)F)n2)[nH]c(=Nc2ccnc(C(F)(F)F)c2)[nH]1

InChIKey

DYLUUSLLRIQKOE-UHFFFAOYSA-N

InChI

InChI=1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32)

Weigh it out

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

Names and synonyms

7 names

2-Propanol, 2-methyl-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-
2-Methyl-1-(4-(6-(trifluoromethyl)pyridin-2-yl)-6-(2-(trifluoromethyl)pyridin-4-ylamino)-1,3,5-triazin-2-ylamino)propan-2-ol
Enasidenib
AG 221
CC 90007 free base
Idhifa
AG-221

Work with 2-Methyl-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-propanol

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-Trifluoromethyl-4-chloropyridine131748-14-631 % similar

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

Elsewhere

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