5-[2-(azetidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine

C18H20F2N6O2 — CID 123637376

About 5-[2-(azetidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine

5-[2-(azetidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine (PubChem CID 123637376) has the molecular formula C18H20F2N6O2 and a molecular weight of 390.39 g/mol. Its IUPAC name is 5-[2-(azetidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[2-(azetidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
• PubChem CID: 123637376
• Molecular Formula: C18H20F2N6O2
• Molecular Weight: 390.39 g/mol
• Exact Mass: 390.16
• IUPAC Name: 5-[2-(azetidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
• SMILES: Nc1ncc(-c2cc(N3CC4CC3CO4)nc(N3CCC3)n2)cc1OC(F)F
• InChI: InChI=1S/C18H20F2N6O2/c19-17(20)28-14-4-10(7-22-16(14)21)13-6-15(24-18(23-13)25-2-1-3-25)26-8-12-5-11(26)9-27-12/h4,6-7,11-12,17H,1-3,5,8-9H2,(H2,21,22)
• InChIKey: CPVPPNQGLSYXOE-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 89.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.39
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-(azetidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine?

The IUPAC name of 5-[2-(azetidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine (CID 123637376) is 5-[2-(azetidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine.

What is the SMILES notation for 5-[2-(azetidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine?

The canonical SMILES for 5-[2-(azetidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine is Nc1ncc(-c2cc(N3CC4CC3CO4)nc(N3CCC3)n2)cc1OC(F)F.

What is the InChIKey of 5-[2-(azetidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine?

The InChIKey is CPVPPNQGLSYXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N6O2/c19-17(20)28-14-4-10(7-22-16(14)21)13-6-15(24-18(23-13)25-2-1-3-25)26-8-12-5-11(26)9-27-12/h4,6-7,11-12,17H,1-3,5,8-9H2,(H2,21,22).

What are the key properties of 5-[2-(azetidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine?

5-[2-(azetidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine has a molecular weight of 390.39 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(azetidin-1-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 123637376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).