2-[6-(furan-3-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methoxyphenol

C17H12N2O3S — CID 154394664

IUPAC2-[6-(furan-3-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methoxyphenol
SMILESCOc1cccc(O)c1-c1ncnc2cc(-c3ccoc3)sc12
InChIInChI=1S/C17H12N2O3S/c1-21-13-4-2-3-12(20)15(13)16-17-11(18-9-19-16)7-14(23-17)10-5-6-22-8-10/h2-9,20H,1H3
InChIKeyOYOOMEFAICMDHP-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.33
Rot. Bonds3

About 2-[6-(furan-3-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methoxyphenol

2-[6-(furan-3-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methoxyphenol (PubChem CID 154394664) has the molecular formula C17H12N2O3S and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-[6-(furan-3-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methoxyphenol.

Molecular Properties

Compound Name2-[6-(furan-3-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methoxyphenol
PubChem CID154394664
Molecular FormulaC17H12N2O3S
Molecular Weight324.36 g/mol
Exact Mass324.06
IUPAC Name2-[6-(furan-3-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methoxyphenol
SMILESCOc1cccc(O)c1-c1ncnc2cc(-c3ccoc3)sc12
InChIInChI=1S/C17H12N2O3S/c1-21-13-4-2-3-12(20)15(13)16-17-11(18-9-19-16)7-14(23-17)10-5-6-22-8-10/h2-9,20H,1H3
InChIKeyOYOOMEFAICMDHP-UHFFFAOYSA-N
XLogP4.33
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(furan-3-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methoxyphenol?
The IUPAC name of 2-[6-(furan-3-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methoxyphenol (CID 154394664) is 2-[6-(furan-3-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methoxyphenol.
What is the SMILES notation for 2-[6-(furan-3-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methoxyphenol?
The canonical SMILES for 2-[6-(furan-3-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methoxyphenol is COc1cccc(O)c1-c1ncnc2cc(-c3ccoc3)sc12.
What is the InChIKey of 2-[6-(furan-3-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methoxyphenol?
The InChIKey is OYOOMEFAICMDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3S/c1-21-13-4-2-3-12(20)15(13)16-17-11(18-9-19-16)7-14(23-17)10-5-6-22-8-10/h2-9,20H,1H3.
What are the key properties of 2-[6-(furan-3-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methoxyphenol?
2-[6-(furan-3-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methoxyphenol has a molecular weight of 324.36 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(furan-3-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methoxyphenol is sourced from PubChem (CID 154394664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).