5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[3-(1-methylimidazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine

C24H26F2N8O — CID 123621828

About 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[3-(1-methylimidazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine

5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[3-(1-methylimidazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine (PubChem CID 123621828) has the molecular formula C24H26F2N8O and a molecular weight of 480.52 g/mol. Its IUPAC name is 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[3-(1-methylimidazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[3-(1-methylimidazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
• PubChem CID: 123621828
• Molecular Formula: C24H26F2N8O
• Molecular Weight: 480.52 g/mol
• Exact Mass: 480.22
• IUPAC Name: 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[3-(1-methylimidazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
• SMILES: Cn1ccnc1N1CC2C(C1)C2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CC3CC2C3)n1
• InChI: InChI=1S/C24H26F2N8O/c1-32-3-2-28-24(32)33-10-15-16(11-33)20(15)18-7-17(13-6-19(35-22(25)26)21(27)29-8-13)30-23(31-18)34-9-12-4-14(34)5-12/h2-3,6-8,12,14-16,20,22H,4-5,9-11H2,1H3,(H2,27,29)
• InChIKey: GVGYBIXAAHYIHK-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 98.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.52
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[3-(1-methylimidazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine?

The IUPAC name of 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[3-(1-methylimidazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine (CID 123621828) is 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[3-(1-methylimidazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine.

What is the SMILES notation for 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[3-(1-methylimidazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine?

The canonical SMILES for 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[3-(1-methylimidazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine is Cn1ccnc1N1CC2C(C1)C2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CC3CC2C3)n1.

What is the InChIKey of 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[3-(1-methylimidazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine?

The InChIKey is GVGYBIXAAHYIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N8O/c1-32-3-2-28-24(32)33-10-15-16(11-33)20(15)18-7-17(13-6-19(35-22(25)26)21(27)29-8-13)30-23(31-18)34-9-12-4-14(34)5-12/h2-3,6-8,12,14-16,20,22H,4-5,9-11H2,1H3,(H2,27,29).

What are the key properties of 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[3-(1-methylimidazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine?

5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[3-(1-methylimidazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine has a molecular weight of 480.52 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[3-(1-methylimidazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 123621828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).