(3R)-1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol

C20H16F6N6O2 — CID 159987664

IUPAC(3R)-1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(Oc3cccc(C(F)(F)F)n3)n2)C1
InChIInChI=1S/C20H16F6N6O2/c21-19(22,23)11-3-1-4-12(9-11)27-16-29-17(32-8-7-13(33)10-32)31-18(30-16)34-15-6-2-5-14(28-15)20(24,25)26/h1-6,9,13,33H,7-8,10H2,(H,27,29,30,31)/t13-/m1/s1
InChIKeyOGNSUBFRFOUCFT-CYBMUJFWSA-N
MW486.38 g/mol
LogP4.41
Rot. Bonds5

About (3R)-1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol

(3R)-1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol (PubChem CID 159987664) has the molecular formula C20H16F6N6O2 and a molecular weight of 486.38 g/mol. Its IUPAC name is (3R)-1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
PubChem CID159987664
Molecular FormulaC20H16F6N6O2
Molecular Weight486.38 g/mol
Exact Mass486.12
IUPAC Name(3R)-1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(Oc3cccc(C(F)(F)F)n3)n2)C1
InChIInChI=1S/C20H16F6N6O2/c21-19(22,23)11-3-1-4-12(9-11)27-16-29-17(32-8-7-13(33)10-32)31-18(30-16)34-15-6-2-5-14(28-15)20(24,25)26/h1-6,9,13,33H,7-8,10H2,(H,27,29,30,31)/t13-/m1/s1
InChIKeyOGNSUBFRFOUCFT-CYBMUJFWSA-N
XLogP4.41
TPSA96.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.38
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 159987665
(3S)-1-[4-[3-(trifluoromethyl)anilino]-6-[3-(trifluoromethyl)phenoxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 155667018
1-[4-[3-(trifluoromethyl)anilino]-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 155667013
cyclopropyl-[4-[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]methanone
CID 58040390
1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 175935651
4-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine
CID 122677415
4-ethoxy-6-[4-(4-methylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 58039444
1-[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]-3-methylpyrrolidin-3-ol
CID 160975266
2-anilino-1-[4-[4-ethoxy-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 58039339
4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 58040339
4-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 58039731
4-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 58040193

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol (CID 159987664) is (3R)-1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol is O[C@@H]1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(Oc3cccc(C(F)(F)F)n3)n2)C1.
What is the InChIKey of (3R)-1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
The InChIKey is OGNSUBFRFOUCFT-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H16F6N6O2/c21-19(22,23)11-3-1-4-12(9-11)27-16-29-17(32-8-7-13(33)10-32)31-18(30-16)34-15-6-2-5-14(28-15)20(24,25)26/h1-6,9,13,33H,7-8,10H2,(H,27,29,30,31)/t13-/m1/s1.
What are the key properties of (3R)-1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
(3R)-1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol has a molecular weight of 486.38 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 159987664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).