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

C20H16F6N6O2 — CID 159987665

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

1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol (PubChem CID 159987665) has the molecular formula C20H16F6N6O2 and a molecular weight of 486.38 g/mol. Its IUPAC name is 1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: 1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
• PubChem CID: 159987665
• Molecular Formula: C20H16F6N6O2
• Molecular Weight: 486.38 g/mol
• Exact Mass: 486.12
• IUPAC Name: 1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
• SMILES: OC1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(Oc3cccc(C(F)(F)F)n3)n2)C1
• InChI: 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)
• InChIKey: OGNSUBFRFOUCFT-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 96.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.38
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol?

The IUPAC name of 1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol (CID 159987665) is 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 1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol?

The canonical SMILES for 1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol is OC1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(Oc3cccc(C(F)(F)F)n3)n2)C1.

What is the InChIKey of 1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol?

The InChIKey is OGNSUBFRFOUCFT-UHFFFAOYSA-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).

What are the key properties of 1-[4-[3-(trifluoromethyl)anilino]-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-1,3,5-triazin-2-yl]pyrrolidin-3-ol?

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 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 159987665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).