2-(thieno[2,3-d]pyrimidin-2-ylamino)oxyacetic acid

C8H7N3O3S — CID 130510934

IUPAC2-(thieno[2,3-d]pyrimidin-2-ylamino)oxyacetic acid
SMILESO=C(O)CONc1ncc2ccsc2n1
InChIInChI=1S/C8H7N3O3S/c12-6(13)4-14-11-8-9-3-5-1-2-15-7(5)10-8/h1-3H,4H2,(H,12,13)(H,9,10,11)
InChIKeyMIRYVXHDRDZUJQ-UHFFFAOYSA-N
MW225.23 g/mol
LogP1.12
Rot. Bonds4

About 2-(thieno[2,3-d]pyrimidin-2-ylamino)oxyacetic acid

2-(thieno[2,3-d]pyrimidin-2-ylamino)oxyacetic acid (PubChem CID 130510934) has the molecular formula C8H7N3O3S and a molecular weight of 225.23 g/mol. Its IUPAC name is 2-(thieno[2,3-d]pyrimidin-2-ylamino)oxyacetic acid.

Molecular Properties

Compound Name2-(thieno[2,3-d]pyrimidin-2-ylamino)oxyacetic acid
PubChem CID130510934
Molecular FormulaC8H7N3O3S
Molecular Weight225.23 g/mol
Exact Mass225.02
IUPAC Name2-(thieno[2,3-d]pyrimidin-2-ylamino)oxyacetic acid
SMILESO=C(O)CONc1ncc2ccsc2n1
InChIInChI=1S/C8H7N3O3S/c12-6(13)4-14-11-8-9-3-5-1-2-15-7(5)10-8/h1-3H,4H2,(H,12,13)(H,9,10,11)
InChIKeyMIRYVXHDRDZUJQ-UHFFFAOYSA-N
XLogP1.12
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-thieno[2,3-d]pyrimidin-2-ylacetic acid
CID 82401350
2-[(4-cyanopyrimidin-2-yl)amino]oxyacetic acid
CID 107543189
N-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-2-amine
CID 140996813
2,4-dimethyl-1-(thieno[2,3-d]pyrimidin-2-ylamino)pentan-2-ol
CID 114273441
2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid
CID 115596203
2-thieno[2,3-d]pyrimidin-2-ylethanol
CID 137400060
N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-2-amine
CID 114273415
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid
CID 103340909
N-(3-ethyl-2-methylcyclopentyl)thieno[2,3-d]pyrimidin-2-amine
CID 114273439
2-[(3-ethylthiophene-2-carbonyl)amino]oxyacetic acid
CID 63913393
2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetic acid
CID 116975091
2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methoxy]acetic acid
CID 61328113

Frequently Asked Questions

What is the IUPAC name of 2-(thieno[2,3-d]pyrimidin-2-ylamino)oxyacetic acid?
The IUPAC name of 2-(thieno[2,3-d]pyrimidin-2-ylamino)oxyacetic acid (CID 130510934) is 2-(thieno[2,3-d]pyrimidin-2-ylamino)oxyacetic acid.
What is the SMILES notation for 2-(thieno[2,3-d]pyrimidin-2-ylamino)oxyacetic acid?
The canonical SMILES for 2-(thieno[2,3-d]pyrimidin-2-ylamino)oxyacetic acid is O=C(O)CONc1ncc2ccsc2n1.
What is the InChIKey of 2-(thieno[2,3-d]pyrimidin-2-ylamino)oxyacetic acid?
The InChIKey is MIRYVXHDRDZUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3S/c12-6(13)4-14-11-8-9-3-5-1-2-15-7(5)10-8/h1-3H,4H2,(H,12,13)(H,9,10,11).
What are the key properties of 2-(thieno[2,3-d]pyrimidin-2-ylamino)oxyacetic acid?
2-(thieno[2,3-d]pyrimidin-2-ylamino)oxyacetic acid has a molecular weight of 225.23 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thieno[2,3-d]pyrimidin-2-ylamino)oxyacetic acid is sourced from PubChem (CID 130510934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).