5-hydroxy-4-[[4-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1H-pyrimidin-6-one

C27H27N5O4 — CID 167451558

About 5-hydroxy-4-[[4-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1H-pyrimidin-6-one

5-hydroxy-4-[[4-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1H-pyrimidin-6-one (PubChem CID 167451558) has the molecular formula C27H27N5O4 and a molecular weight of 485.54 g/mol. Its IUPAC name is 5-hydroxy-4-[[4-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 5-hydroxy-4-[[4-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1H-pyrimidin-6-one
• PubChem CID: 167451558
• Molecular Formula: C27H27N5O4
• Molecular Weight: 485.54 g/mol
• Exact Mass: 485.21
• IUPAC Name: 5-hydroxy-4-[[4-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1H-pyrimidin-6-one
• SMILES: O=C1NC(c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)CN1Cc1nc[nH]c(=O)c1O
• InChI: InChI=1S/C27H27N5O4/c33-25-24(28-18-29-26(25)34)17-32-16-23(30-27(32)35)22-9-7-20(8-10-22)2-1-19-3-5-21(6-4-19)15-31-11-13-36-14-12-31/h3-10,18,23,33H,11-17H2,(H,30,35)(H,28,29,34)
• InChIKey: JONFIWHMOGESOX-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 110.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.54
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-[[4-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1H-pyrimidin-6-one?

The IUPAC name of 5-hydroxy-4-[[4-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1H-pyrimidin-6-one (CID 167451558) is 5-hydroxy-4-[[4-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1H-pyrimidin-6-one.

What is the SMILES notation for 5-hydroxy-4-[[4-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1H-pyrimidin-6-one?

The canonical SMILES for 5-hydroxy-4-[[4-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1H-pyrimidin-6-one is O=C1NC(c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)CN1Cc1nc[nH]c(=O)c1O.

What is the InChIKey of 5-hydroxy-4-[[4-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1H-pyrimidin-6-one?

The InChIKey is JONFIWHMOGESOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O4/c33-25-24(28-18-29-26(25)34)17-32-16-23(30-27(32)35)22-9-7-20(8-10-22)2-1-19-3-5-21(6-4-19)15-31-11-13-36-14-12-31/h3-10,18,23,33H,11-17H2,(H,30,35)(H,28,29,34).

What are the key properties of 5-hydroxy-4-[[4-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1H-pyrimidin-6-one?

5-hydroxy-4-[[4-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1H-pyrimidin-6-one has a molecular weight of 485.54 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-hydroxy-4-[[4-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 167451558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).