5,6-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)furo[2,3-d]pyrimidin-4-amine

C20H17N5O3 — CID 4902274

IUPAC5,6-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)furo[2,3-d]pyrimidin-4-amine
SMILESc1coc(-c2oc3ncnc(NCCCn4ccnc4)c3c2-c2ccco2)c1
InChIInChI=1S/C20H17N5O3/c1-4-14(26-10-1)16-17-19(22-6-3-8-25-9-7-21-13-25)23-12-24-20(17)28-18(16)15-5-2-11-27-15/h1-2,4-5,7,9-13H,3,6,8H2,(H,22,23,24)
InChIKeyPKJSJVWIBJFUJG-UHFFFAOYSA-N
MW375.39 g/mol
LogP4.44
Rot. Bonds7

About 5,6-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)furo[2,3-d]pyrimidin-4-amine

5,6-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)furo[2,3-d]pyrimidin-4-amine (PubChem CID 4902274) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 5,6-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)furo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)furo[2,3-d]pyrimidin-4-amine
PubChem CID4902274
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name5,6-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)furo[2,3-d]pyrimidin-4-amine
SMILESc1coc(-c2oc3ncnc(NCCCn4ccnc4)c3c2-c2ccco2)c1
InChIInChI=1S/C20H17N5O3/c1-4-14(26-10-1)16-17-19(22-6-3-8-25-9-7-21-13-25)23-12-24-20(17)28-18(16)15-5-2-11-27-15/h1-2,4-5,7,9-13H,3,6,8H2,(H,22,23,24)
InChIKeyPKJSJVWIBJFUJG-UHFFFAOYSA-N
XLogP4.44
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 5,6-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)furo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)furo[2,3-d]pyrimidin-4-amine (CID 4902274) is 5,6-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)furo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)furo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)furo[2,3-d]pyrimidin-4-amine is c1coc(-c2oc3ncnc(NCCCn4ccnc4)c3c2-c2ccco2)c1.
What is the InChIKey of 5,6-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)furo[2,3-d]pyrimidin-4-amine?
The InChIKey is PKJSJVWIBJFUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-4-14(26-10-1)16-17-19(22-6-3-8-25-9-7-21-13-25)23-12-24-20(17)28-18(16)15-5-2-11-27-15/h1-2,4-5,7,9-13H,3,6,8H2,(H,22,23,24).
What are the key properties of 5,6-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)furo[2,3-d]pyrimidin-4-amine?
5,6-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)furo[2,3-d]pyrimidin-4-amine has a molecular weight of 375.39 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)furo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4902274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).