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

C11H14N4O2S — CID 9453782

IUPACN-(2-methoxyethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
SMILESCOCCNC(=O)CNc1ncnc2sccc12
InChIInChI=1S/C11H14N4O2S/c1-17-4-3-12-9(16)6-13-10-8-2-5-18-11(8)15-7-14-10/h2,5,7H,3-4,6H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyHWUAPCCTOWVQRZ-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.87
Rot. Bonds6

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

N-(2-methoxyethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide (PubChem CID 9453782) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
PubChem CID9453782
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC NameN-(2-methoxyethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
SMILESCOCCNC(=O)CNc1ncnc2sccc12
InChIInChI=1S/C11H14N4O2S/c1-17-4-3-12-9(16)6-13-10-8-2-5-18-11(8)15-7-14-10/h2,5,7H,3-4,6H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyHWUAPCCTOWVQRZ-UHFFFAOYSA-N
XLogP0.87
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.87
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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Related Compounds

N-(2-methylpropyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 49226606
N-tert-butyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 9450255
2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl carbamate
CID 83204037
N-(3-methoxypropyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39084785
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(3-methoxypropyl)acetamide
CID 39084926
2-(3-methylimidazol-4-yl)-N-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]acetamide
CID 126799138
N-(2-bromophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide
CID 17393142
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N-(2-methoxyethyl)acetamide
CID 113231442
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 39084934
2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methoxyethyl)acetamide
CID 106539384
N-(2-methoxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 115658497
N-(4-methoxybutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 62735152

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide (CID 9453782) is N-(2-methoxyethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide is COCCNC(=O)CNc1ncnc2sccc12.
What is the InChIKey of N-(2-methoxyethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide?
The InChIKey is HWUAPCCTOWVQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-17-4-3-12-9(16)6-13-10-8-2-5-18-11(8)15-7-14-10/h2,5,7H,3-4,6H2,1H3,(H,12,16)(H,13,14,15).
What are the key properties of N-(2-methoxyethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide?
N-(2-methoxyethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide has a molecular weight of 266.33 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)acetamide is sourced from PubChem (CID 9453782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).