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

C10H12N4O2S — CID 113257850

IUPAC2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]acetamide
SMILESNC(=O)COCCNc1ncnc2ccsc12
InChIInChI=1S/C10H12N4O2S/c11-8(15)5-16-3-2-12-10-9-7(1-4-17-9)13-6-14-10/h1,4,6H,2-3,5H2,(H2,11,15)(H,12,13,14)
InChIKeyIMBDDRADSZXTRM-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.61
Rot. Bonds6

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

2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]acetamide (PubChem CID 113257850) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]acetamide
PubChem CID113257850
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]acetamide
SMILESNC(=O)COCCNc1ncnc2ccsc12
InChIInChI=1S/C10H12N4O2S/c11-8(15)5-16-3-2-12-10-9-7(1-4-17-9)13-6-14-10/h1,4,6H,2-3,5H2,(H2,11,15)(H,12,13,14)
InChIKeyIMBDDRADSZXTRM-UHFFFAOYSA-N
XLogP0.61
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.61
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]acetamide?
The IUPAC name of 2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]acetamide (CID 113257850) is 2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]acetamide?
The canonical SMILES for 2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]acetamide is NC(=O)COCCNc1ncnc2ccsc12.
What is the InChIKey of 2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]acetamide?
The InChIKey is IMBDDRADSZXTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c11-8(15)5-16-3-2-12-10-9-7(1-4-17-9)13-6-14-10/h1,4,6H,2-3,5H2,(H2,11,15)(H,12,13,14).
What are the key properties of 2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]acetamide?
2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]acetamide has a molecular weight of 252.30 g/mol, XLogP of 0.61, 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]acetamide is sourced from PubChem (CID 113257850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).