3-(4-pyridin-3-ylthieno[3,2-d]pyrimidin-2-yl)phenol

C17H11N3OS — CID 24855046

IUPAC3-(4-pyridin-3-ylthieno[3,2-d]pyrimidin-2-yl)phenol
SMILESOc1cccc(-c2nc(-c3cccnc3)c3sccc3n2)c1
InChIInChI=1S/C17H11N3OS/c21-13-5-1-3-11(9-13)17-19-14-6-8-22-16(14)15(20-17)12-4-2-7-18-10-12/h1-10,21H
InChIKeyWHVNKILIPFXBOY-UHFFFAOYSA-N
MW305.36 g/mol
LogP4.13
Rot. Bonds2

About 3-(4-pyridin-3-ylthieno[3,2-d]pyrimidin-2-yl)phenol

3-(4-pyridin-3-ylthieno[3,2-d]pyrimidin-2-yl)phenol (PubChem CID 24855046) has the molecular formula C17H11N3OS and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-(4-pyridin-3-ylthieno[3,2-d]pyrimidin-2-yl)phenol.

Molecular Properties

Compound Name3-(4-pyridin-3-ylthieno[3,2-d]pyrimidin-2-yl)phenol
PubChem CID24855046
Molecular FormulaC17H11N3OS
Molecular Weight305.36 g/mol
Exact Mass305.06
IUPAC Name3-(4-pyridin-3-ylthieno[3,2-d]pyrimidin-2-yl)phenol
SMILESOc1cccc(-c2nc(-c3cccnc3)c3sccc3n2)c1
InChIInChI=1S/C17H11N3OS/c21-13-5-1-3-11(9-13)17-19-14-6-8-22-16(14)15(20-17)12-4-2-7-18-10-12/h1-10,21H
InChIKeyWHVNKILIPFXBOY-UHFFFAOYSA-N
XLogP4.13
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-3-ylthieno[3,2-d]pyrimidin-2-yl)phenol?
The IUPAC name of 3-(4-pyridin-3-ylthieno[3,2-d]pyrimidin-2-yl)phenol (CID 24855046) is 3-(4-pyridin-3-ylthieno[3,2-d]pyrimidin-2-yl)phenol.
What is the SMILES notation for 3-(4-pyridin-3-ylthieno[3,2-d]pyrimidin-2-yl)phenol?
The canonical SMILES for 3-(4-pyridin-3-ylthieno[3,2-d]pyrimidin-2-yl)phenol is Oc1cccc(-c2nc(-c3cccnc3)c3sccc3n2)c1.
What is the InChIKey of 3-(4-pyridin-3-ylthieno[3,2-d]pyrimidin-2-yl)phenol?
The InChIKey is WHVNKILIPFXBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3OS/c21-13-5-1-3-11(9-13)17-19-14-6-8-22-16(14)15(20-17)12-4-2-7-18-10-12/h1-10,21H.
What are the key properties of 3-(4-pyridin-3-ylthieno[3,2-d]pyrimidin-2-yl)phenol?
3-(4-pyridin-3-ylthieno[3,2-d]pyrimidin-2-yl)phenol has a molecular weight of 305.36 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-3-ylthieno[3,2-d]pyrimidin-2-yl)phenol is sourced from PubChem (CID 24855046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).