ethyl 2-[(2R)-3-[5-(4-methoxyphenyl)-6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropoxy]acetate

C26H27N3O6 — CID 58337972

IUPACethyl 2-[(2R)-3-[5-(4-methoxyphenyl)-6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropoxy]acetate
SMILESCCOC(=O)COC[C@@H](C)COc1ncnc2oc(-c3ccccn3)c(-c3ccc(OC)cc3)c12
InChIInChI=1S/C26H27N3O6/c1-4-33-21(30)15-32-13-17(2)14-34-25-23-22(18-8-10-19(31-3)11-9-18)24(20-7-5-6-12-27-20)35-26(23)29-16-28-25/h5-12,16-17H,4,13-15H2,1-3H3/t17-/m1/s1
InChIKeyYRPLZHQURVEFPC-QGZVFWFLSA-N
MW477.52 g/mol
LogP4.55
Rot. Bonds11

About ethyl 2-[(2R)-3-[5-(4-methoxyphenyl)-6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropoxy]acetate

ethyl 2-[(2R)-3-[5-(4-methoxyphenyl)-6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropoxy]acetate (PubChem CID 58337972) has the molecular formula C26H27N3O6 and a molecular weight of 477.52 g/mol. Its IUPAC name is ethyl 2-[(2R)-3-[5-(4-methoxyphenyl)-6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R)-3-[5-(4-methoxyphenyl)-6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropoxy]acetate
PubChem CID58337972
Molecular FormulaC26H27N3O6
Molecular Weight477.52 g/mol
Exact Mass477.19
IUPAC Nameethyl 2-[(2R)-3-[5-(4-methoxyphenyl)-6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropoxy]acetate
SMILESCCOC(=O)COC[C@@H](C)COc1ncnc2oc(-c3ccccn3)c(-c3ccc(OC)cc3)c12
InChIInChI=1S/C26H27N3O6/c1-4-33-21(30)15-32-13-17(2)14-34-25-23-22(18-8-10-19(31-3)11-9-18)24(20-7-5-6-12-27-20)35-26(23)29-16-28-25/h5-12,16-17H,4,13-15H2,1-3H3/t17-/m1/s1
InChIKeyYRPLZHQURVEFPC-QGZVFWFLSA-N
XLogP4.55
TPSA105.80 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R)-3-[5-(4-methoxyphenyl)-6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropoxy]acetate?
The IUPAC name of ethyl 2-[(2R)-3-[5-(4-methoxyphenyl)-6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropoxy]acetate (CID 58337972) is ethyl 2-[(2R)-3-[5-(4-methoxyphenyl)-6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropoxy]acetate.
What is the SMILES notation for ethyl 2-[(2R)-3-[5-(4-methoxyphenyl)-6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropoxy]acetate?
The canonical SMILES for ethyl 2-[(2R)-3-[5-(4-methoxyphenyl)-6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropoxy]acetate is CCOC(=O)COC[C@@H](C)COc1ncnc2oc(-c3ccccn3)c(-c3ccc(OC)cc3)c12.
What is the InChIKey of ethyl 2-[(2R)-3-[5-(4-methoxyphenyl)-6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropoxy]acetate?
The InChIKey is YRPLZHQURVEFPC-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H27N3O6/c1-4-33-21(30)15-32-13-17(2)14-34-25-23-22(18-8-10-19(31-3)11-9-18)24(20-7-5-6-12-27-20)35-26(23)29-16-28-25/h5-12,16-17H,4,13-15H2,1-3H3/t17-/m1/s1.
What are the key properties of ethyl 2-[(2R)-3-[5-(4-methoxyphenyl)-6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropoxy]acetate?
ethyl 2-[(2R)-3-[5-(4-methoxyphenyl)-6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropoxy]acetate has a molecular weight of 477.52 g/mol, XLogP of 4.55, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-3-[5-(4-methoxyphenyl)-6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropoxy]acetate is sourced from PubChem (CID 58337972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).