[(1S,4R,6R)-6-(4,6-dimethylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone

C23H24N6O2 — CID 118876743

About [(1S,4R,6R)-6-(4,6-dimethylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone

[(1S,4R,6R)-6-(4,6-dimethylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone (PubChem CID 118876743) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is [(1S,4R,6R)-6-(4,6-dimethylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(1S,4R,6R)-6-(4,6-dimethylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
• PubChem CID: 118876743
• Molecular Formula: C23H24N6O2
• Molecular Weight: 416.49 g/mol
• Exact Mass: 416.20
• IUPAC Name: [(1S,4R,6R)-6-(4,6-dimethylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
• SMILES: Cc1cnc(C(=O)N2C[C@H]3C[C@@H](Oc4nc(C)cc(C)n4)[C@@H]2C3)c(-c2ncccn2)c1
• InChI: InChI=1S/C23H24N6O2/c1-13-7-17(21-24-5-4-6-25-21)20(26-11-13)22(30)29-12-16-9-18(29)19(10-16)31-23-27-14(2)8-15(3)28-23/h4-8,11,16,18-19H,9-10,12H2,1-3H3/t16-,18+,19-/m1/s1
• InChIKey: AVUIPRQFLDJWDV-NZSAHSFTSA-N
• XLogP: 2.94
• TPSA: 93.99 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.49
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(1S,4R,6R)-6-(4,6-dimethylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?

The IUPAC name of [(1S,4R,6R)-6-(4,6-dimethylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone (CID 118876743) is [(1S,4R,6R)-6-(4,6-dimethylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone.

What is the SMILES notation for [(1S,4R,6R)-6-(4,6-dimethylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?

The canonical SMILES for [(1S,4R,6R)-6-(4,6-dimethylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone is Cc1cnc(C(=O)N2C[C@H]3C[C@@H](Oc4nc(C)cc(C)n4)[C@@H]2C3)c(-c2ncccn2)c1.

What is the InChIKey of [(1S,4R,6R)-6-(4,6-dimethylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?

The InChIKey is AVUIPRQFLDJWDV-NZSAHSFTSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-13-7-17(21-24-5-4-6-25-21)20(26-11-13)22(30)29-12-16-9-18(29)19(10-16)31-23-27-14(2)8-15(3)28-23/h4-8,11,16,18-19H,9-10,12H2,1-3H3/t16-,18+,19-/m1/s1.

What are the key properties of [(1S,4R,6R)-6-(4,6-dimethylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?

[(1S,4R,6R)-6-(4,6-dimethylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone has a molecular weight of 416.49 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,4R,6R)-6-(4,6-dimethylpyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone is sourced from PubChem (CID 118876743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).