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

C8H8N2OS — CID 137400060

IUPAC2-thieno[2,3-d]pyrimidin-2-ylethanol
SMILESOCCc1ncc2ccsc2n1
InChIInChI=1S/C8H8N2OS/c11-3-1-7-9-5-6-2-4-12-8(6)10-7/h2,4-5,11H,1,3H2
InChIKeyTUDONJFFGOQPQB-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.23
Rot. Bonds2

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

2-thieno[2,3-d]pyrimidin-2-ylethanol (PubChem CID 137400060) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-thieno[2,3-d]pyrimidin-2-ylethanol.

Molecular Properties

Compound Name2-thieno[2,3-d]pyrimidin-2-ylethanol
PubChem CID137400060
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name2-thieno[2,3-d]pyrimidin-2-ylethanol
SMILESOCCc1ncc2ccsc2n1
InChIInChI=1S/C8H8N2OS/c11-3-1-7-9-5-6-2-4-12-8(6)10-7/h2,4-5,11H,1,3H2
InChIKeyTUDONJFFGOQPQB-UHFFFAOYSA-N
XLogP1.23
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thieno[2,3-d]pyrimidin-2-ylethanol?
The IUPAC name of 2-thieno[2,3-d]pyrimidin-2-ylethanol (CID 137400060) is 2-thieno[2,3-d]pyrimidin-2-ylethanol.
What is the SMILES notation for 2-thieno[2,3-d]pyrimidin-2-ylethanol?
The canonical SMILES for 2-thieno[2,3-d]pyrimidin-2-ylethanol is OCCc1ncc2ccsc2n1.
What is the InChIKey of 2-thieno[2,3-d]pyrimidin-2-ylethanol?
The InChIKey is TUDONJFFGOQPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c11-3-1-7-9-5-6-2-4-12-8(6)10-7/h2,4-5,11H,1,3H2.
What are the key properties of 2-thieno[2,3-d]pyrimidin-2-ylethanol?
2-thieno[2,3-d]pyrimidin-2-ylethanol has a molecular weight of 180.23 g/mol, XLogP of 1.23, 2 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-ylethanol is sourced from PubChem (CID 137400060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).