5-[2-oxo-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione

C20H22N6O3 — CID 72908366

About 5-[2-oxo-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione

5-[2-oxo-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 72908366) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 5-[2-oxo-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[2-oxo-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
• PubChem CID: 72908366
• Molecular Formula: C20H22N6O3
• Molecular Weight: 394.44 g/mol
• Exact Mass: 394.18
• IUPAC Name: 5-[2-oxo-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
• SMILES: O=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCCC(c2nccn2Cc2ccccn2)C1
• InChI: InChI=1S/C20H22N6O3/c27-17(10-15-11-23-20(29)24-19(15)28)25-8-3-4-14(12-25)18-22-7-9-26(18)13-16-5-1-2-6-21-16/h1-2,5-7,9,11,14H,3-4,8,10,12-13H2,(H2,23,24,28,29)
• InChIKey: ZIAGKXYPGXZAKV-UHFFFAOYSA-N
• XLogP: 0.65
• TPSA: 116.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.44
LogP ≤ 5	0.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-oxo-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?

The IUPAC name of 5-[2-oxo-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione (CID 72908366) is 5-[2-oxo-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione.

What is the SMILES notation for 5-[2-oxo-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?

The canonical SMILES for 5-[2-oxo-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione is O=C(Cc1c[nH]c(=O)[nH]c1=O)N1CCCC(c2nccn2Cc2ccccn2)C1.

What is the InChIKey of 5-[2-oxo-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?

The InChIKey is ZIAGKXYPGXZAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c27-17(10-15-11-23-20(29)24-19(15)28)25-8-3-4-14(12-25)18-22-7-9-26(18)13-16-5-1-2-6-21-16/h1-2,5-7,9,11,14H,3-4,8,10,12-13H2,(H2,23,24,28,29).

What are the key properties of 5-[2-oxo-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?

5-[2-oxo-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 394.44 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-oxo-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72908366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).