3-(2-hydroxyethyl)thieno[3,2-d]pyrimidin-4-one

C8H8N2O2S — CID 43417358

IUPAC3-(2-hydroxyethyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1CCO
InChIInChI=1S/C8H8N2O2S/c11-3-2-10-5-9-6-1-4-13-7(6)8(10)12/h1,4-5,11H,2-3H2
InChIKeyIHIQFJGZEZXVNG-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.45
Rot. Bonds2

About 3-(2-hydroxyethyl)thieno[3,2-d]pyrimidin-4-one

3-(2-hydroxyethyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 43417358) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID43417358
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name3-(2-hydroxyethyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sccc2ncn1CCO
InChIInChI=1S/C8H8N2O2S/c11-3-2-10-5-9-6-1-4-13-7(6)8(10)12/h1,4-5,11H,2-3H2
InChIKeyIHIQFJGZEZXVNG-UHFFFAOYSA-N
XLogP0.45
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)thieno[3,2-d]pyrimidin-4-one (CID 43417358) is 3-(2-hydroxyethyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)thieno[3,2-d]pyrimidin-4-one is O=c1c2sccc2ncn1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is IHIQFJGZEZXVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c11-3-2-10-5-9-6-1-4-13-7(6)8(10)12/h1,4-5,11H,2-3H2.
What are the key properties of 3-(2-hydroxyethyl)thieno[3,2-d]pyrimidin-4-one?
3-(2-hydroxyethyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 196.23 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 43417358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).