2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]ethanol

C10H13N3O2S — CID 60701626

IUPAC2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]ethanol
SMILESOCCOCCNc1ncnc2ccsc12
InChIInChI=1S/C10H13N3O2S/c14-3-5-15-4-2-11-10-9-8(1-6-16-9)12-7-13-10/h1,6-7,14H,2-5H2,(H,11,12,13)
InChIKeyRFUBZKLIAQNWJN-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.11
Rot. Bonds6

About 2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]ethanol

2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]ethanol (PubChem CID 60701626) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]ethanol
PubChem CID60701626
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]ethanol
SMILESOCCOCCNc1ncnc2ccsc12
InChIInChI=1S/C10H13N3O2S/c14-3-5-15-4-2-11-10-9-8(1-6-16-9)12-7-13-10/h1,6-7,14H,2-5H2,(H,11,12,13)
InChIKeyRFUBZKLIAQNWJN-UHFFFAOYSA-N
XLogP1.11
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]ethanol (CID 60701626) is 2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]ethanol is OCCOCCNc1ncnc2ccsc12.
What is the InChIKey of 2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]ethanol?
The InChIKey is RFUBZKLIAQNWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c14-3-5-15-4-2-11-10-9-8(1-6-16-9)12-7-13-10/h1,6-7,14H,2-5H2,(H,11,12,13).
What are the key properties of 2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]ethanol?
2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]ethanol has a molecular weight of 239.30 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]ethanol is sourced from PubChem (CID 60701626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).