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

C9H11N3OS — CID 5168625

IUPAC2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCN(CCO)c1ncnc2sccc12
InChIInChI=1S/C9H11N3OS/c1-12(3-4-13)8-7-2-5-14-9(7)11-6-10-8/h2,5-6,13H,3-4H2,1H3
InChIKeyAMPBDXUICPXLLP-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.12
Rot. Bonds3

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

2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 5168625) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol
PubChem CID5168625
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCN(CCO)c1ncnc2sccc12
InChIInChI=1S/C9H11N3OS/c1-12(3-4-13)8-7-2-5-14-9(7)11-6-10-8/h2,5-6,13H,3-4H2,1H3
InChIKeyAMPBDXUICPXLLP-UHFFFAOYSA-N
XLogP1.12
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol (CID 5168625) is 2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol is CN(CCO)c1ncnc2sccc12.
What is the InChIKey of 2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is AMPBDXUICPXLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-12(3-4-13)8-7-2-5-14-9(7)11-6-10-8/h2,5-6,13H,3-4H2,1H3.
What are the key properties of 2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 209.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 5168625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).