4-(difluoromethyl)-5-[4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]pyridin-2-amine

C21H25F2N7O2 — CID 139520938

About 4-(difluoromethyl)-5-[4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]pyridin-2-amine

4-(difluoromethyl)-5-[4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]pyridin-2-amine (PubChem CID 139520938) has the molecular formula C21H25F2N7O2 and a molecular weight of 445.47 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-[4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 4-(difluoromethyl)-5-[4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]pyridin-2-amine
• PubChem CID: 139520938
• Molecular Formula: C21H25F2N7O2
• Molecular Weight: 445.47 g/mol
• Exact Mass: 445.20
• IUPAC Name: 4-(difluoromethyl)-5-[4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]pyridin-2-amine
• SMILES: Nc1cc(C(F)F)c(-c2nc(N3CC4COC(C4)C3)nc(N3CC4CCC(C3)O4)n2)cn1
• InChI: InChI=1S/C21H25F2N7O2/c22-18(23)15-4-17(24)25-5-16(15)19-26-20(29-6-11-3-14(9-29)31-10-11)28-21(27-19)30-7-12-1-2-13(8-30)32-12/h4-5,11-14,18H,1-3,6-10H2,(H2,24,25)
• InChIKey: RHPQNWMDFCWUBY-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 102.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.47
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-[4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]pyridin-2-amine?

The IUPAC name of 4-(difluoromethyl)-5-[4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]pyridin-2-amine (CID 139520938) is 4-(difluoromethyl)-5-[4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]pyridin-2-amine.

What is the SMILES notation for 4-(difluoromethyl)-5-[4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]pyridin-2-amine?

The canonical SMILES for 4-(difluoromethyl)-5-[4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]pyridin-2-amine is Nc1cc(C(F)F)c(-c2nc(N3CC4COC(C4)C3)nc(N3CC4CCC(C3)O4)n2)cn1.

What is the InChIKey of 4-(difluoromethyl)-5-[4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]pyridin-2-amine?

The InChIKey is RHPQNWMDFCWUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N7O2/c22-18(23)15-4-17(24)25-5-16(15)19-26-20(29-6-11-3-14(9-29)31-10-11)28-21(27-19)30-7-12-1-2-13(8-30)32-12/h4-5,11-14,18H,1-3,6-10H2,(H2,24,25).

What are the key properties of 4-(difluoromethyl)-5-[4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]pyridin-2-amine?

4-(difluoromethyl)-5-[4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]pyridin-2-amine has a molecular weight of 445.47 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(difluoromethyl)-5-[4-(6-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]pyridin-2-amine is sourced from PubChem (CID 139520938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).