6-[(E)-2-(furan-2-yl)ethenyl]-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one

C18H12N2O3S — CID 143525817

IUPAC6-[(E)-2-(furan-2-yl)ethenyl]-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sc(/C=C/c3ccco3)cc2ncn1-c1ccc(O)cc1
InChIInChI=1S/C18H12N2O3S/c21-13-5-3-12(4-6-13)20-11-19-16-10-15(24-17(16)18(20)22)8-7-14-2-1-9-23-14/h1-11,21H/b8-7+
InChIKeyRHAKJAQMYDNFQO-BQYQJAHWSA-N
MW336.37 g/mol
LogP3.92
Rot. Bonds3

About 6-[(E)-2-(furan-2-yl)ethenyl]-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one

6-[(E)-2-(furan-2-yl)ethenyl]-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 143525817) has the molecular formula C18H12N2O3S and a molecular weight of 336.37 g/mol. Its IUPAC name is 6-[(E)-2-(furan-2-yl)ethenyl]-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(E)-2-(furan-2-yl)ethenyl]-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID143525817
Molecular FormulaC18H12N2O3S
Molecular Weight336.37 g/mol
Exact Mass336.06
IUPAC Name6-[(E)-2-(furan-2-yl)ethenyl]-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sc(/C=C/c3ccco3)cc2ncn1-c1ccc(O)cc1
InChIInChI=1S/C18H12N2O3S/c21-13-5-3-12(4-6-13)20-11-19-16-10-15(24-17(16)18(20)22)8-7-14-2-1-9-23-14/h1-11,21H/b8-7+
InChIKeyRHAKJAQMYDNFQO-BQYQJAHWSA-N
XLogP3.92
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(furan-2-yl)ethenyl]-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-[(E)-2-(furan-2-yl)ethenyl]-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one (CID 143525817) is 6-[(E)-2-(furan-2-yl)ethenyl]-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(E)-2-(furan-2-yl)ethenyl]-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-[(E)-2-(furan-2-yl)ethenyl]-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one is O=c1c2sc(/C=C/c3ccco3)cc2ncn1-c1ccc(O)cc1.
What is the InChIKey of 6-[(E)-2-(furan-2-yl)ethenyl]-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is RHAKJAQMYDNFQO-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H12N2O3S/c21-13-5-3-12(4-6-13)20-11-19-16-10-15(24-17(16)18(20)22)8-7-14-2-1-9-23-14/h1-11,21H/b8-7+.
What are the key properties of 6-[(E)-2-(furan-2-yl)ethenyl]-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one?
6-[(E)-2-(furan-2-yl)ethenyl]-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 336.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(furan-2-yl)ethenyl]-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 143525817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).