2-thieno[2,3-d]pyrimidin-2-ylphenol

C12H8N2OS — CID 159358664

IUPAC2-thieno[2,3-d]pyrimidin-2-ylphenol
SMILESOc1ccccc1-c1ncc2ccsc2n1
InChIInChI=1S/C12H8N2OS/c15-10-4-2-1-3-9(10)11-13-7-8-5-6-16-12(8)14-11/h1-7,15H
InChIKeyNEIQQYZWUIOEDM-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.06
Rot. Bonds1

About 2-thieno[2,3-d]pyrimidin-2-ylphenol

2-thieno[2,3-d]pyrimidin-2-ylphenol (PubChem CID 159358664) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-thieno[2,3-d]pyrimidin-2-ylphenol.

Molecular Properties

Compound Name2-thieno[2,3-d]pyrimidin-2-ylphenol
PubChem CID159358664
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name2-thieno[2,3-d]pyrimidin-2-ylphenol
SMILESOc1ccccc1-c1ncc2ccsc2n1
InChIInChI=1S/C12H8N2OS/c15-10-4-2-1-3-9(10)11-13-7-8-5-6-16-12(8)14-11/h1-7,15H
InChIKeyNEIQQYZWUIOEDM-UHFFFAOYSA-N
XLogP3.06
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrimidin-2-ylphenol;zinc
CID 161346901
2-(2-hydroxyphenyl)thiophen-3-ol
CID 132511067
2-(4-propan-2-ylpyrimidin-2-yl)phenol
CID 136866665
2-thieno[2,3-d]pyrimidin-2-ylacetic acid
CID 82401350
2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 135975716
2-(2-hydroxyphenyl)phenol;naphthalene
CID 70386801
2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum
CID 135975715
2-[5-(2-aminoethylamino)pyrimidin-2-yl]phenol
CID 136934611
2-[4-butoxy-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol
CID 163676700
2-[5-(azetidin-3-ylmethoxy)pyrimidin-2-yl]phenol
CID 136998973
2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]phenol
CID 105460333
2-(thieno[2,3-d]pyrimidin-2-ylamino)oxyacetic acid
CID 130510934

Frequently Asked Questions

What is the IUPAC name of 2-thieno[2,3-d]pyrimidin-2-ylphenol?
The IUPAC name of 2-thieno[2,3-d]pyrimidin-2-ylphenol (CID 159358664) is 2-thieno[2,3-d]pyrimidin-2-ylphenol.
What is the SMILES notation for 2-thieno[2,3-d]pyrimidin-2-ylphenol?
The canonical SMILES for 2-thieno[2,3-d]pyrimidin-2-ylphenol is Oc1ccccc1-c1ncc2ccsc2n1.
What is the InChIKey of 2-thieno[2,3-d]pyrimidin-2-ylphenol?
The InChIKey is NEIQQYZWUIOEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS/c15-10-4-2-1-3-9(10)11-13-7-8-5-6-16-12(8)14-11/h1-7,15H.
What are the key properties of 2-thieno[2,3-d]pyrimidin-2-ylphenol?
2-thieno[2,3-d]pyrimidin-2-ylphenol has a molecular weight of 228.28 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[2,3-d]pyrimidin-2-ylphenol is sourced from PubChem (CID 159358664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).