6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid

C25H24N2O5 — CID 58016957

IUPAC6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid
SMILESCOc1ccc(-c2c(-c3ccccc3)oc3ncnc(OCCCCCC(=O)O)c23)cc1
InChIInChI=1S/C25H24N2O5/c1-30-19-13-11-17(12-14-19)21-22-24(31-15-7-3-6-10-20(28)29)26-16-27-25(22)32-23(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)
InChIKeyRNLRZLXDNPHHDN-UHFFFAOYSA-N
MW432.48 g/mol
LogP5.59
Rot. Bonds10

About 6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid

6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid (PubChem CID 58016957) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid.

Molecular Properties

Compound Name6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid
PubChem CID58016957
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid
SMILESCOc1ccc(-c2c(-c3ccccc3)oc3ncnc(OCCCCCC(=O)O)c23)cc1
InChIInChI=1S/C25H24N2O5/c1-30-19-13-11-17(12-14-19)21-22-24(31-15-7-3-6-10-20(28)29)26-16-27-25(22)32-23(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)
InChIKeyRNLRZLXDNPHHDN-UHFFFAOYSA-N
XLogP5.59
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 55.59
H-Bond Donors ≤ 51
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-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid?
The IUPAC name of 6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid (CID 58016957) is 6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid.
What is the SMILES notation for 6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid?
The canonical SMILES for 6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid is COc1ccc(-c2c(-c3ccccc3)oc3ncnc(OCCCCCC(=O)O)c23)cc1.
What is the InChIKey of 6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid?
The InChIKey is RNLRZLXDNPHHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-30-19-13-11-17(12-14-19)21-22-24(31-15-7-3-6-10-20(28)29)26-16-27-25(22)32-23(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).
What are the key properties of 6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid?
6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid has a molecular weight of 432.48 g/mol, XLogP of 5.59, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid is sourced from PubChem (CID 58016957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).