6-cyclopropyl-3-[2-oxo-2-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyrimidin-4-one

C21H24N4O3 — CID 121186167

About 6-cyclopropyl-3-[2-oxo-2-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyrimidin-4-one

6-cyclopropyl-3-[2-oxo-2-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyrimidin-4-one (PubChem CID 121186167) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 6-cyclopropyl-3-[2-oxo-2-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-cyclopropyl-3-[2-oxo-2-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyrimidin-4-one
• PubChem CID: 121186167
• Molecular Formula: C21H24N4O3
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.18
• IUPAC Name: 6-cyclopropyl-3-[2-oxo-2-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyrimidin-4-one
• SMILES: O=C(Cn1cnc(C2CC2)cc1=O)N1C2CCC1CC(Oc1cccnc1)C2
• InChI: InChI=1S/C21H24N4O3/c26-20-10-19(14-3-4-14)23-13-24(20)12-21(27)25-15-5-6-16(25)9-18(8-15)28-17-2-1-7-22-11-17/h1-2,7,10-11,13-16,18H,3-6,8-9,12H2
• InChIKey: GUGITGLKDSTJNP-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 77.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[2-oxo-2-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyrimidin-4-one?

The IUPAC name of 6-cyclopropyl-3-[2-oxo-2-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyrimidin-4-one (CID 121186167) is 6-cyclopropyl-3-[2-oxo-2-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyrimidin-4-one.

What is the SMILES notation for 6-cyclopropyl-3-[2-oxo-2-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyrimidin-4-one?

The canonical SMILES for 6-cyclopropyl-3-[2-oxo-2-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyrimidin-4-one is O=C(Cn1cnc(C2CC2)cc1=O)N1C2CCC1CC(Oc1cccnc1)C2.

What is the InChIKey of 6-cyclopropyl-3-[2-oxo-2-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyrimidin-4-one?

The InChIKey is GUGITGLKDSTJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-20-10-19(14-3-4-14)23-13-24(20)12-21(27)25-15-5-6-16(25)9-18(8-15)28-17-2-1-7-22-11-17/h1-2,7,10-11,13-16,18H,3-6,8-9,12H2.

What are the key properties of 6-cyclopropyl-3-[2-oxo-2-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyrimidin-4-one?

6-cyclopropyl-3-[2-oxo-2-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyrimidin-4-one has a molecular weight of 380.45 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-3-[2-oxo-2-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 121186167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).