2-[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol

C15H15N3OS — CID 2453882

IUPAC2-[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESOCCN(Cc1ccccc1)c1ncnc2sccc12
InChIInChI=1S/C15H15N3OS/c19-8-7-18(10-12-4-2-1-3-5-12)14-13-6-9-20-15(13)17-11-16-14/h1-6,9,11,19H,7-8,10H2
InChIKeyRHQPWRIKACUCNW-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.69
Rot. Bonds5

About 2-[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol

2-[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 2453882) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol
PubChem CID2453882
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESOCCN(Cc1ccccc1)c1ncnc2sccc12
InChIInChI=1S/C15H15N3OS/c19-8-7-18(10-12-4-2-1-3-5-12)14-13-6-9-20-15(13)17-11-16-14/h1-6,9,11,19H,7-8,10H2
InChIKeyRHQPWRIKACUCNW-UHFFFAOYSA-N
XLogP2.69
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol (CID 2453882) is 2-[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol is OCCN(Cc1ccccc1)c1ncnc2sccc12.
What is the InChIKey of 2-[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is RHQPWRIKACUCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c19-8-7-18(10-12-4-2-1-3-5-12)14-13-6-9-20-15(13)17-11-16-14/h1-6,9,11,19H,7-8,10H2.
What are the key properties of 2-[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
2-[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 285.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 2453882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).