6-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol

C22H23N3O3 — CID 58373497

About 6-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol

6-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol (PubChem CID 58373497) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 6-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol.

Molecular Properties

• Compound Name: 6-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol
• PubChem CID: 58373497
• Molecular Formula: C22H23N3O3
• Molecular Weight: 377.44 g/mol
• Exact Mass: 377.17
• IUPAC Name: 6-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol
• SMILES: OCCCCCCNc1ncnc2oc(-c3ccccc3)c(-c3ccco3)c12
• InChI: InChI=1S/C22H23N3O3/c26-13-7-2-1-6-12-23-21-19-18(17-11-8-14-27-17)20(16-9-4-3-5-10-16)28-22(19)25-15-24-21/h3-5,8-11,14-15,26H,1-2,6-7,12-13H2,(H,23,24,25)
• InChIKey: SQUZAWOKAXQWLT-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 84.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	377.44
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
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-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol?

The IUPAC name of 6-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol (CID 58373497) is 6-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol.

What is the SMILES notation for 6-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol?

The canonical SMILES for 6-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol is OCCCCCCNc1ncnc2oc(-c3ccccc3)c(-c3ccco3)c12.

What is the InChIKey of 6-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol?

The InChIKey is SQUZAWOKAXQWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-13-7-2-1-6-12-23-21-19-18(17-11-8-14-27-17)20(16-9-4-3-5-10-16)28-22(19)25-15-24-21/h3-5,8-11,14-15,26H,1-2,6-7,12-13H2,(H,23,24,25).

What are the key properties of 6-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol?

6-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol has a molecular weight of 377.44 g/mol, XLogP of 5.11, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol is sourced from PubChem (CID 58373497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).