5-(4-methoxyphenyl)-6-phenyl-4-[5-(2H-tetrazol-5-yl)pentoxy]furo[2,3-d]pyrimidine

C25H24N6O3 — CID 58016975

IUPAC5-(4-methoxyphenyl)-6-phenyl-4-[5-(2H-tetrazol-5-yl)pentoxy]furo[2,3-d]pyrimidine
SMILESCOc1ccc(-c2c(-c3ccccc3)oc3ncnc(OCCCCCc4nn[nH]n4)c23)cc1
InChIInChI=1S/C25H24N6O3/c1-32-19-13-11-17(12-14-19)21-22-24(33-15-7-3-6-10-20-28-30-31-29-20)26-16-27-25(22)34-23(21)18-8-4-2-5-9-18/h2,4-5,8-9,11-14,16H,3,6-7,10,15H2,1H3,(H,28,29,30,31)
InChIKeyWJJSOSVDOGRVGV-UHFFFAOYSA-N
MW456.51 g/mol
LogP4.87
Rot. Bonds10

About 5-(4-methoxyphenyl)-6-phenyl-4-[5-(2H-tetrazol-5-yl)pentoxy]furo[2,3-d]pyrimidine

5-(4-methoxyphenyl)-6-phenyl-4-[5-(2H-tetrazol-5-yl)pentoxy]furo[2,3-d]pyrimidine (PubChem CID 58016975) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-6-phenyl-4-[5-(2H-tetrazol-5-yl)pentoxy]furo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-6-phenyl-4-[5-(2H-tetrazol-5-yl)pentoxy]furo[2,3-d]pyrimidine
PubChem CID58016975
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name5-(4-methoxyphenyl)-6-phenyl-4-[5-(2H-tetrazol-5-yl)pentoxy]furo[2,3-d]pyrimidine
SMILESCOc1ccc(-c2c(-c3ccccc3)oc3ncnc(OCCCCCc4nn[nH]n4)c23)cc1
InChIInChI=1S/C25H24N6O3/c1-32-19-13-11-17(12-14-19)21-22-24(33-15-7-3-6-10-20-28-30-31-29-20)26-16-27-25(22)34-23(21)18-8-4-2-5-9-18/h2,4-5,8-9,11-14,16H,3,6-7,10,15H2,1H3,(H,28,29,30,31)
InChIKeyWJJSOSVDOGRVGV-UHFFFAOYSA-N
XLogP4.87
TPSA111.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 54.87
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-(4-methoxyphenyl)-6-phenyl-4-[5-(2H-tetrazol-5-yl)pentoxy]furo[2,3-d]pyrimidine?
The IUPAC name of 5-(4-methoxyphenyl)-6-phenyl-4-[5-(2H-tetrazol-5-yl)pentoxy]furo[2,3-d]pyrimidine (CID 58016975) is 5-(4-methoxyphenyl)-6-phenyl-4-[5-(2H-tetrazol-5-yl)pentoxy]furo[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-methoxyphenyl)-6-phenyl-4-[5-(2H-tetrazol-5-yl)pentoxy]furo[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-methoxyphenyl)-6-phenyl-4-[5-(2H-tetrazol-5-yl)pentoxy]furo[2,3-d]pyrimidine is COc1ccc(-c2c(-c3ccccc3)oc3ncnc(OCCCCCc4nn[nH]n4)c23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-6-phenyl-4-[5-(2H-tetrazol-5-yl)pentoxy]furo[2,3-d]pyrimidine?
The InChIKey is WJJSOSVDOGRVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-32-19-13-11-17(12-14-19)21-22-24(33-15-7-3-6-10-20-28-30-31-29-20)26-16-27-25(22)34-23(21)18-8-4-2-5-9-18/h2,4-5,8-9,11-14,16H,3,6-7,10,15H2,1H3,(H,28,29,30,31).
What are the key properties of 5-(4-methoxyphenyl)-6-phenyl-4-[5-(2H-tetrazol-5-yl)pentoxy]furo[2,3-d]pyrimidine?
5-(4-methoxyphenyl)-6-phenyl-4-[5-(2H-tetrazol-5-yl)pentoxy]furo[2,3-d]pyrimidine has a molecular weight of 456.51 g/mol, XLogP of 4.87, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-6-phenyl-4-[5-(2H-tetrazol-5-yl)pentoxy]furo[2,3-d]pyrimidine is sourced from PubChem (CID 58016975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).