5-(furan-2-yl)-N-(furan-2-ylmethyl)-6-phenylfuro[2,3-d]pyrimidin-4-amine

C21H15N3O3 — CID 58373549

IUPAC5-(furan-2-yl)-N-(furan-2-ylmethyl)-6-phenylfuro[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2oc3ncnc(NCc4ccco4)c3c2-c2ccco2)cc1
InChIInChI=1S/C21H15N3O3/c1-2-6-14(7-3-1)19-17(16-9-5-11-26-16)18-20(23-13-24-21(18)27-19)22-12-15-8-4-10-25-15/h1-11,13H,12H2,(H,22,23,24)
InChIKeyGVAQKZVWHOGHPX-UHFFFAOYSA-N
MW357.37 g/mol
LogP5.35
Rot. Bonds5

About 5-(furan-2-yl)-N-(furan-2-ylmethyl)-6-phenylfuro[2,3-d]pyrimidin-4-amine

5-(furan-2-yl)-N-(furan-2-ylmethyl)-6-phenylfuro[2,3-d]pyrimidin-4-amine (PubChem CID 58373549) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(furan-2-ylmethyl)-6-phenylfuro[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(furan-2-ylmethyl)-6-phenylfuro[2,3-d]pyrimidin-4-amine
PubChem CID58373549
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC Name5-(furan-2-yl)-N-(furan-2-ylmethyl)-6-phenylfuro[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2oc3ncnc(NCc4ccco4)c3c2-c2ccco2)cc1
InChIInChI=1S/C21H15N3O3/c1-2-6-14(7-3-1)19-17(16-9-5-11-26-16)18-20(23-13-24-21(18)27-19)22-12-15-8-4-10-25-15/h1-11,13H,12H2,(H,22,23,24)
InChIKeyGVAQKZVWHOGHPX-UHFFFAOYSA-N
XLogP5.35
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.37
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(furan-2-ylmethyl)-6-phenylfuro[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(furan-2-yl)-N-(furan-2-ylmethyl)-6-phenylfuro[2,3-d]pyrimidin-4-amine (CID 58373549) is 5-(furan-2-yl)-N-(furan-2-ylmethyl)-6-phenylfuro[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(furan-2-yl)-N-(furan-2-ylmethyl)-6-phenylfuro[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(furan-2-yl)-N-(furan-2-ylmethyl)-6-phenylfuro[2,3-d]pyrimidin-4-amine is c1ccc(-c2oc3ncnc(NCc4ccco4)c3c2-c2ccco2)cc1.
What is the InChIKey of 5-(furan-2-yl)-N-(furan-2-ylmethyl)-6-phenylfuro[2,3-d]pyrimidin-4-amine?
The InChIKey is GVAQKZVWHOGHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c1-2-6-14(7-3-1)19-17(16-9-5-11-26-16)18-20(23-13-24-21(18)27-19)22-12-15-8-4-10-25-15/h1-11,13H,12H2,(H,22,23,24).
What are the key properties of 5-(furan-2-yl)-N-(furan-2-ylmethyl)-6-phenylfuro[2,3-d]pyrimidin-4-amine?
5-(furan-2-yl)-N-(furan-2-ylmethyl)-6-phenylfuro[2,3-d]pyrimidin-4-amine has a molecular weight of 357.37 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(furan-2-ylmethyl)-6-phenylfuro[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 58373549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).