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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Related Compounds

1-{Thieno[2,3-d]pyrimidin-4-yl}piperazine
CID 16768198
5-(4-Morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 56833540
N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2549953
N,N-diethyl-2-(4-morpholin-4-ylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 155529141
1-(Piperidin-1-yl)-2-(thieno[2,3-d]pyrimidin-4-ylsulfanyl)ethanone
CID 4621619
N,N-diethylthieno[2,3-d]pyrimidin-4-amine
CID 2808589
Thieno(2,3-d)pyrimidine, 4-(4-methyl-1-piperazinyl)-, hydrochloride
CID 216792
N,N-diethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 155567356
N,N-Dimethylthieno[2,3-d]pyrimidin-4-amine
CID 13038349
Thieno(2,3-d)pyrimidine, 5-methyl-4-(4-methyl-1-piperazinyl)-, hydrochloride
CID 216790
2-Chloro-4-(morpholin-4-yl)thieno(2,3-d)pyrimidine
CID 13038189
Ethyl 4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)piperazine-1-carboxylate
CID 2441690

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).