2-methyl-5-[2-[(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidin-6-one

C19H26N6O2 — CID 133117869

About 2-methyl-5-[2-[(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidin-6-one

2-methyl-5-[2-[(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidin-6-one (PubChem CID 133117869) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-methyl-5-[2-[(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-methyl-5-[2-[(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidin-6-one
• PubChem CID: 133117869
• Molecular Formula: C19H26N6O2
• Molecular Weight: 370.46 g/mol
• Exact Mass: 370.21
• IUPAC Name: 2-methyl-5-[2-[(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidin-6-one
• SMILES: Cc1ncc(CC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2nc[nH]c2C)C3)c(=O)[nH]1
• InChI: InChI=1S/C19H26N6O2/c1-12-17(22-11-21-12)10-24-7-14-3-4-16(9-24)25(8-14)18(26)5-15-6-20-13(2)23-19(15)27/h6,11,14,16H,3-5,7-10H2,1-2H3,(H,21,22)(H,20,23,27)/t14-,16+/m1/s1
• InChIKey: XPCCLQQOYCBOMK-ZBFHGGJFSA-N
• XLogP: 0.78
• TPSA: 97.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.46
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidin-6-one?

The IUPAC name of 2-methyl-5-[2-[(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidin-6-one (CID 133117869) is 2-methyl-5-[2-[(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidin-6-one.

What is the SMILES notation for 2-methyl-5-[2-[(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidin-6-one?

The canonical SMILES for 2-methyl-5-[2-[(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidin-6-one is Cc1ncc(CC(=O)N2C[C@@H]3CC[C@H]2CN(Cc2nc[nH]c2C)C3)c(=O)[nH]1.

What is the InChIKey of 2-methyl-5-[2-[(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidin-6-one?

The InChIKey is XPCCLQQOYCBOMK-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-12-17(22-11-21-12)10-24-7-14-3-4-16(9-24)25(8-14)18(26)5-15-6-20-13(2)23-19(15)27/h6,11,14,16H,3-5,7-10H2,1-2H3,(H,21,22)(H,20,23,27)/t14-,16+/m1/s1.

What are the key properties of 2-methyl-5-[2-[(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidin-6-one?

2-methyl-5-[2-[(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidin-6-one has a molecular weight of 370.46 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[2-[(1R,5S)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 133117869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).