6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid

C25H24N2O5 — CID 58016957

About 6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid

6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid (PubChem CID 58016957) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid.

Molecular Properties

• Compound Name: 6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid
• PubChem CID: 58016957
• Molecular Formula: C25H24N2O5
• Molecular Weight: 432.48 g/mol
• Exact Mass: 432.17
• IUPAC Name: 6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid
• SMILES: COc1ccc(-c2c(-c3ccccc3)oc3ncnc(OCCCCCC(=O)O)c23)cc1
• InChI: InChI=1S/C25H24N2O5/c1-30-19-13-11-17(12-14-19)21-22-24(31-15-7-3-6-10-20(28)29)26-16-27-25(22)32-23(21)18-8-4-2-5-9-18/h2,4-5,8-9,11-14,16H,3,6-7,10,15H2,1H3,(H,28,29)
• InChIKey: RNLRZLXDNPHHDN-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 94.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.48
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid?

The IUPAC name of 6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid (CID 58016957) is 6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid.

What is the SMILES notation for 6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid?

The canonical SMILES for 6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid is COc1ccc(-c2c(-c3ccccc3)oc3ncnc(OCCCCCC(=O)O)c23)cc1.

What is the InChIKey of 6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid?

The InChIKey is RNLRZLXDNPHHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-30-19-13-11-17(12-14-19)21-22-24(31-15-7-3-6-10-20(28)29)26-16-27-25(22)32-23(21)18-8-4-2-5-9-18/h2,4-5,8-9,11-14,16H,3,6-7,10,15H2,1H3,(H,28,29).

What are the key properties of 6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid?

6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid has a molecular weight of 432.48 g/mol, XLogP of 5.59, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid is sourced from PubChem (CID 58016957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).