2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid

C8H6N2O3S — CID 115596203

IUPAC2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid
SMILESO=C(O)COc1ncnc2sccc12
InChIInChI=1S/C8H6N2O3S/c11-6(12)3-13-7-5-1-2-14-8(5)10-4-9-7/h1-2,4H,3H2,(H,11,12)
InChIKeyUMAVEBDOYPEIRU-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.15
Rot. Bonds3

About 2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid

2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid (PubChem CID 115596203) has the molecular formula C8H6N2O3S and a molecular weight of 210.21 g/mol. Its IUPAC name is 2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid.

Molecular Properties

Compound Name2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid
PubChem CID115596203
Molecular FormulaC8H6N2O3S
Molecular Weight210.21 g/mol
Exact Mass210.01
IUPAC Name2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid
SMILESO=C(O)COc1ncnc2sccc12
InChIInChI=1S/C8H6N2O3S/c11-6(12)3-13-7-5-1-2-14-8(5)10-4-9-7/h1-2,4H,3H2,(H,11,12)
InChIKeyUMAVEBDOYPEIRU-UHFFFAOYSA-N
XLogP1.15
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2469755
N-[(2R)-3-methylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2536928
2-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetic acid
CID 61395524
N-(2,6-dimethylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2705201
N-(2-chlorophenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2705204
N-(2-methylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2614067
N-[(2R)-1-methoxypropan-2-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2474930
N-(2-methylpropylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2475845
2-methyl-4-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
CID 107672534
3-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
CID 61395660
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
CID 2079516
N-[1-(4-fluorophenyl)ethyl]-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 4878715

Frequently Asked Questions

What is the IUPAC name of 2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid?
The IUPAC name of 2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid (CID 115596203) is 2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid.
What is the SMILES notation for 2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid?
The canonical SMILES for 2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid is O=C(O)COc1ncnc2sccc12.
What is the InChIKey of 2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid?
The InChIKey is UMAVEBDOYPEIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S/c11-6(12)3-13-7-5-1-2-14-8(5)10-4-9-7/h1-2,4H,3H2,(H,11,12).
What are the key properties of 2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid?
2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid has a molecular weight of 210.21 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid is sourced from PubChem (CID 115596203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).