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

C22H23N3O3 — CID 58373497

IUPAC6-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol
SMILESOCCCCCCNc1ncnc2oc(-c3ccccc3)c(-c3ccco3)c12
InChIInChI=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)
InChIKeySQUZAWOKAXQWLT-UHFFFAOYSA-N
MW377.44 g/mol
LogP5.11
Rot. Bonds9

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 Name6-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol
PubChem CID58373497
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name6-[[5-(furan-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexan-1-ol
SMILESOCCCCCCNc1ncnc2oc(-c3ccccc3)c(-c3ccco3)c12
InChIInChI=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)
InChIKeySQUZAWOKAXQWLT-UHFFFAOYSA-N
XLogP5.11
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.44
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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).