2-[(1R,3S)-3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopentyl]oxyacetic acid

C26H24N2O6 — CID 58280263

IUPAC2-[(1R,3S)-3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopentyl]oxyacetic acid
SMILESCOc1ccc(-c2c(-c3ccccc3)oc3ncnc(O[C@H]4CC[C@@H](OCC(=O)O)C4)c23)cc1
InChIInChI=1S/C26H24N2O6/c1-31-18-9-7-16(8-10-18)22-23-25(33-20-12-11-19(13-20)32-14-21(29)30)27-15-28-26(23)34-24(22)17-5-3-2-4-6-17/h2-10,15,19-20H,11-14H2,1H3,(H,29,30)/t19-,20+/m1/s1
InChIKeyQVTYYTINRJDTEC-UXHICEINSA-N
MW460.49 g/mol
LogP4.97
Rot. Bonds8

About 2-[(1R,3S)-3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopentyl]oxyacetic acid

2-[(1R,3S)-3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopentyl]oxyacetic acid (PubChem CID 58280263) has the molecular formula C26H24N2O6 and a molecular weight of 460.49 g/mol. Its IUPAC name is 2-[(1R,3S)-3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopentyl]oxyacetic acid.

Molecular Properties

Compound Name2-[(1R,3S)-3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopentyl]oxyacetic acid
PubChem CID58280263
Molecular FormulaC26H24N2O6
Molecular Weight460.49 g/mol
Exact Mass460.16
IUPAC Name2-[(1R,3S)-3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopentyl]oxyacetic acid
SMILESCOc1ccc(-c2c(-c3ccccc3)oc3ncnc(O[C@H]4CC[C@@H](OCC(=O)O)C4)c23)cc1
InChIInChI=1S/C26H24N2O6/c1-31-18-9-7-16(8-10-18)22-23-25(33-20-12-11-19(13-20)32-14-21(29)30)27-15-28-26(23)34-24(22)17-5-3-2-4-6-17/h2-10,15,19-20H,11-14H2,1H3,(H,29,30)/t19-,20+/m1/s1
InChIKeyQVTYYTINRJDTEC-UXHICEINSA-N
XLogP4.97
TPSA103.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(1R,3S)-3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopentyl]oxyacetic acid with MolForge

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Related Compounds

2-[(1S,3R)-3-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopentyl]oxyacetic acid
CID 58280066
2-[(1R,3S)-3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]methyl]cyclopentyl]oxyacetic acid
CID 71177036
3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclohexan-1-ol
CID 58280188
6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid
CID 58016957
tert-butyl 2-[(1S,3S)-3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]methyl]cyclopentyl]oxyacetate
CID 70870525
tert-butyl 2-[(1R)-3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]oxyacetate
CID 70870495
2-[4-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxybutan-2-yloxy]acetic acid
CID 69078820
3-hydroxypropanoic acid;5-(4-methoxyphenyl)-6-phenyl-4-propoxyfuro[2,3-d]pyrimidine
CID 143503801
tert-butyl 2-[(1S,3S)-3-(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)oxycyclohexyl]oxyacetate
CID 86653758
4-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxypentan-2-ol
CID 58016930
5-(4-methoxyphenyl)-6-phenyl-4-(2H-tetrazol-5-ylmethoxy)furo[2,3-d]pyrimidine
CID 58016963
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-[(1R,3S)-3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopentyl]oxyacetic acid?
The IUPAC name of 2-[(1R,3S)-3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopentyl]oxyacetic acid (CID 58280263) is 2-[(1R,3S)-3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopentyl]oxyacetic acid.
What is the SMILES notation for 2-[(1R,3S)-3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopentyl]oxyacetic acid?
The canonical SMILES for 2-[(1R,3S)-3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopentyl]oxyacetic acid is COc1ccc(-c2c(-c3ccccc3)oc3ncnc(O[C@H]4CC[C@@H](OCC(=O)O)C4)c23)cc1.
What is the InChIKey of 2-[(1R,3S)-3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopentyl]oxyacetic acid?
The InChIKey is QVTYYTINRJDTEC-UXHICEINSA-N. The full InChI is InChI=1S/C26H24N2O6/c1-31-18-9-7-16(8-10-18)22-23-25(33-20-12-11-19(13-20)32-14-21(29)30)27-15-28-26(23)34-24(22)17-5-3-2-4-6-17/h2-10,15,19-20H,11-14H2,1H3,(H,29,30)/t19-,20+/m1/s1.
What are the key properties of 2-[(1R,3S)-3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopentyl]oxyacetic acid?
2-[(1R,3S)-3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopentyl]oxyacetic acid has a molecular weight of 460.49 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S)-3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopentyl]oxyacetic acid is sourced from PubChem (CID 58280263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).