5-bromo-3-ethyl-1-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione

C21H24BrN5O4 — CID 134261718

About 5-bromo-3-ethyl-1-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione

5-bromo-3-ethyl-1-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione (PubChem CID 134261718) has the molecular formula C21H24BrN5O4 and a molecular weight of 490.36 g/mol. Its IUPAC name is 5-bromo-3-ethyl-1-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-bromo-3-ethyl-1-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione
• PubChem CID: 134261718
• Molecular Formula: C21H24BrN5O4
• Molecular Weight: 490.36 g/mol
• Exact Mass: 489.10
• IUPAC Name: 5-bromo-3-ethyl-1-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione
• SMILES: CCn1c(=O)c(Br)cn(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c1=O
• InChI: InChI=1S/C21H24BrN5O4/c1-2-26-19(29)16(22)12-25(21(26)31)13-18(28)24-9-7-15(8-10-24)27-11-14-5-3-4-6-17(14)23-20(27)30/h3-6,12,15H,2,7-11,13H2,1H3,(H,23,30)
• InChIKey: VWWYKQFDNOXMFZ-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 96.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.36
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-bromo-3-ethyl-1-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione (CID 134261718) is 5-bromo-3-ethyl-1-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione.

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

The canonical SMILES for 5-bromo-3-ethyl-1-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione is CCn1c(=O)c(Br)cn(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c1=O.

What is the InChIKey of 5-bromo-3-ethyl-1-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione?

The InChIKey is VWWYKQFDNOXMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN5O4/c1-2-26-19(29)16(22)12-25(21(26)31)13-18(28)24-9-7-15(8-10-24)27-11-14-5-3-4-6-17(14)23-20(27)30/h3-6,12,15H,2,7-11,13H2,1H3,(H,23,30).

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

5-bromo-3-ethyl-1-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione has a molecular weight of 490.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-ethyl-1-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 134261718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).