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

C25H24N2O6 — CID 69078820

IUPAC2-[4-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxybutan-2-yloxy]acetic acid
SMILESCOc1ccc(-c2c(-c3ccccc3)oc3ncnc(OCCC(C)OCC(=O)O)c23)cc1
InChIInChI=1S/C25H24N2O6/c1-16(32-14-20(28)29)12-13-31-24-22-21(17-8-10-19(30-2)11-9-17)23(18-6-4-3-5-7-18)33-25(22)27-15-26-24/h3-11,15-16H,12-14H2,1-2H3,(H,28,29)
InChIKeyJIBKDFKVJRNHEN-UHFFFAOYSA-N
MW448.48 g/mol
LogP4.82
Rot. Bonds10

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

2-[4-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxybutan-2-yloxy]acetic acid (PubChem CID 69078820) has the molecular formula C25H24N2O6 and a molecular weight of 448.48 g/mol. Its IUPAC name is 2-[4-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxybutan-2-yloxy]acetic acid.

Molecular Properties

Compound Name2-[4-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxybutan-2-yloxy]acetic acid
PubChem CID69078820
Molecular FormulaC25H24N2O6
Molecular Weight448.48 g/mol
Exact Mass448.16
IUPAC Name2-[4-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxybutan-2-yloxy]acetic acid
SMILESCOc1ccc(-c2c(-c3ccccc3)oc3ncnc(OCCC(C)OCC(=O)O)c23)cc1
InChIInChI=1S/C25H24N2O6/c1-16(32-14-20(28)29)12-13-31-24-22-21(17-8-10-19(30-2)11-9-17)23(18-6-4-3-5-7-18)33-25(22)27-15-26-24/h3-11,15-16H,12-14H2,1-2H3,(H,28,29)
InChIKeyJIBKDFKVJRNHEN-UHFFFAOYSA-N
XLogP4.82
TPSA103.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxybutan-2-yloxy]acetic acid with MolForge

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Related Compounds

6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid
CID 58016957
3-hydroxypropanoic acid;5-(4-methoxyphenyl)-6-phenyl-4-propoxyfuro[2,3-d]pyrimidine
CID 143503801
4-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxypentan-2-ol
CID 58016930
sodium 6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyheptanoate
CID 69076861
2-[(1R,3S)-3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopentyl]oxyacetic acid
CID 58280263
3-butan-2-yloxypropanoic acid;5-(4-methoxyphenyl)-4-methyl-6-phenylfuro[2,3-d]pyrimidine
CID 143503809
4-[2-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxypropyl-methylamino]butanoic acid
CID 25096159
3-[1-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyethoxy]propanenitrile
CID 140544972
5-(4-methoxyphenyl)-6-phenyl-4-[5-(2H-tetrazol-5-yl)pentoxy]furo[2,3-d]pyrimidine
CID 58016975
5-(4-methoxyphenyl)-6-phenyl-4-(2H-tetrazol-5-ylmethoxy)furo[2,3-d]pyrimidine
CID 58016963
(6R)-6-[6-(2-fluorophenyl)-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]oxyheptanoic acid
CID 58016806
6-(4-methoxyphenyl)-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-4-amine
CID 10271893

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxybutan-2-yloxy]acetic acid?
The IUPAC name of 2-[4-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxybutan-2-yloxy]acetic acid (CID 69078820) is 2-[4-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxybutan-2-yloxy]acetic acid.
What is the SMILES notation for 2-[4-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxybutan-2-yloxy]acetic acid?
The canonical SMILES for 2-[4-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxybutan-2-yloxy]acetic acid is COc1ccc(-c2c(-c3ccccc3)oc3ncnc(OCCC(C)OCC(=O)O)c23)cc1.
What is the InChIKey of 2-[4-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxybutan-2-yloxy]acetic acid?
The InChIKey is JIBKDFKVJRNHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O6/c1-16(32-14-20(28)29)12-13-31-24-22-21(17-8-10-19(30-2)11-9-17)23(18-6-4-3-5-7-18)33-25(22)27-15-26-24/h3-11,15-16H,12-14H2,1-2H3,(H,28,29).
What are the key properties of 2-[4-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxybutan-2-yloxy]acetic acid?
2-[4-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxybutan-2-yloxy]acetic acid has a molecular weight of 448.48 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxybutan-2-yloxy]acetic acid is sourced from PubChem (CID 69078820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).