3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol

C14H12N2O2S — CID 60869527

IUPAC3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol
SMILESCc1sc2ncnc(Oc3cccc(O)c3)c2c1C
InChIInChI=1S/C14H12N2O2S/c1-8-9(2)19-14-12(8)13(15-7-16-14)18-11-5-3-4-10(17)6-11/h3-7,17H,1-2H3
InChIKeyZBNRHLFFCZVDNM-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.81
Rot. Bonds2

About 3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol

3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol (PubChem CID 60869527) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol.

Molecular Properties

Compound Name3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol
PubChem CID60869527
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol
SMILESCc1sc2ncnc(Oc3cccc(O)c3)c2c1C
InChIInChI=1S/C14H12N2O2S/c1-8-9(2)19-14-12(8)13(15-7-16-14)18-11-5-3-4-10(17)6-11/h3-7,17H,1-2H3
InChIKeyZBNRHLFFCZVDNM-UHFFFAOYSA-N
XLogP3.81
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol?
The IUPAC name of 3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol (CID 60869527) is 3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol.
What is the SMILES notation for 3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol?
The canonical SMILES for 3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol is Cc1sc2ncnc(Oc3cccc(O)c3)c2c1C.
What is the InChIKey of 3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol?
The InChIKey is ZBNRHLFFCZVDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-8-9(2)19-14-12(8)13(15-7-16-14)18-11-5-3-4-10(17)6-11/h3-7,17H,1-2H3.
What are the key properties of 3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol?
3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol has a molecular weight of 272.33 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol is sourced from PubChem (CID 60869527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).