2-methyl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]oxypropan-1-ol

C19H17F6N7O2 — CID 134561949

About 2-methyl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]oxypropan-1-ol

2-methyl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]oxypropan-1-ol (PubChem CID 134561949) has the molecular formula C19H17F6N7O2 and a molecular weight of 489.38 g/mol. Its IUPAC name is 2-methyl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]oxypropan-1-ol.

Molecular Properties

• Compound Name: 2-methyl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]oxypropan-1-ol
• PubChem CID: 134561949
• Molecular Formula: C19H17F6N7O2
• Molecular Weight: 489.38 g/mol
• Exact Mass: 489.13
• IUPAC Name: 2-methyl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]oxypropan-1-ol
• SMILES: CC(C)(CO)ONc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1
• InChI: InChI=1S/C19H17F6N7O2/c1-17(2,9-33)34-32-16-30-14(11-4-3-5-12(28-11)18(20,21)22)29-15(31-16)27-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,29,30,31,32)
• InChIKey: ZXEQGFQTECXYSI-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 117.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.38
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-methyl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]oxypropan-1-ol (CID 134561949) is 2-methyl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]oxypropan-1-ol.

What is the SMILES notation for 2-methyl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]oxypropan-1-ol?

The canonical SMILES for 2-methyl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]oxypropan-1-ol is CC(C)(CO)ONc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.

What is the InChIKey of 2-methyl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]oxypropan-1-ol?

The InChIKey is ZXEQGFQTECXYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6N7O2/c1-17(2,9-33)34-32-16-30-14(11-4-3-5-12(28-11)18(20,21)22)29-15(31-16)27-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,29,30,31,32).

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

2-methyl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]oxypropan-1-ol has a molecular weight of 489.38 g/mol, XLogP of 4.22, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]oxypropan-1-ol is sourced from PubChem (CID 134561949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).