2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol

C12H16N4OS — CID 2537688

IUPAC2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol
SMILESOCCN1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C12H16N4OS/c17-7-6-15-2-4-16(5-3-15)11-10-1-8-18-12(10)14-9-13-11/h1,8-9,17H,2-7H2
InChIKeyRMZULTRHWHVHDS-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.81
Rot. Bonds3

About 2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol

2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol (PubChem CID 2537688) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol
PubChem CID2537688
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol
SMILESOCCN1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C12H16N4OS/c17-7-6-15-2-4-16(5-3-15)11-10-1-8-18-12(10)14-9-13-11/h1,8-9,17H,2-7H2
InChIKeyRMZULTRHWHVHDS-UHFFFAOYSA-N
XLogP0.81
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol (CID 2537688) is 2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol is OCCN1CCN(c2ncnc3sccc23)CC1.
What is the InChIKey of 2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol?
The InChIKey is RMZULTRHWHVHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c17-7-6-15-2-4-16(5-3-15)11-10-1-8-18-12(10)14-9-13-11/h1,8-9,17H,2-7H2.
What are the key properties of 2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol?
2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol has a molecular weight of 264.35 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol is sourced from PubChem (CID 2537688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).