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

C10H10N2O2S — CID 104572046

IUPAC2-thieno[3,2-d]pyrimidin-4-ylbutanoic acid
SMILESCCC(C(=O)O)c1ncnc2ccsc12
InChIInChI=1S/C10H10N2O2S/c1-2-6(10(13)14)8-9-7(3-4-15-9)11-5-12-8/h3-6H,2H2,1H3,(H,13,14)
InChIKeyJPSGZTNGRHWPLQ-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.27
Rot. Bonds3

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

2-thieno[3,2-d]pyrimidin-4-ylbutanoic acid (PubChem CID 104572046) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-thieno[3,2-d]pyrimidin-4-ylbutanoic acid.

Molecular Properties

Compound Name2-thieno[3,2-d]pyrimidin-4-ylbutanoic acid
PubChem CID104572046
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name2-thieno[3,2-d]pyrimidin-4-ylbutanoic acid
SMILESCCC(C(=O)O)c1ncnc2ccsc12
InChIInChI=1S/C10H10N2O2S/c1-2-6(10(13)14)8-9-7(3-4-15-9)11-5-12-8/h3-6H,2H2,1H3,(H,13,14)
InChIKeyJPSGZTNGRHWPLQ-UHFFFAOYSA-N
XLogP2.27
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2-thieno[3,2-d]pyrimidin-4-ylpropanedioate
CID 104573464
3-thieno[3,2-d]pyrimidin-4-ylbutan-2-one
CID 63196611
(2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol
CID 93033856
2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid
CID 43236106
2-ethyl-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)butan-1-one
CID 110873231
2-(2-methylthiophen-3-yl)butanoic acid
CID 102837236
2-(3-methylthiophen-2-yl)butanoic acid
CID 79991313
5-methoxy-2-(thieno[3,2-d]pyrimidin-4-ylamino)pentanoic acid
CID 81078600
2-[4-(1,3-thiazol-2-yl)phenyl]butanoic acid
CID 174694618
N,N-dimethyl-2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetamide
CID 35790255
methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate
CID 2808870
methyl 2-[(2-methoxy-2-oxoethyl)-thieno[3,2-d]pyrimidin-4-ylamino]acetate
CID 62956789

Frequently Asked Questions

What is the IUPAC name of 2-thieno[3,2-d]pyrimidin-4-ylbutanoic acid?
The IUPAC name of 2-thieno[3,2-d]pyrimidin-4-ylbutanoic acid (CID 104572046) is 2-thieno[3,2-d]pyrimidin-4-ylbutanoic acid.
What is the SMILES notation for 2-thieno[3,2-d]pyrimidin-4-ylbutanoic acid?
The canonical SMILES for 2-thieno[3,2-d]pyrimidin-4-ylbutanoic acid is CCC(C(=O)O)c1ncnc2ccsc12.
What is the InChIKey of 2-thieno[3,2-d]pyrimidin-4-ylbutanoic acid?
The InChIKey is JPSGZTNGRHWPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-2-6(10(13)14)8-9-7(3-4-15-9)11-5-12-8/h3-6H,2H2,1H3,(H,13,14).
What are the key properties of 2-thieno[3,2-d]pyrimidin-4-ylbutanoic acid?
2-thieno[3,2-d]pyrimidin-4-ylbutanoic acid has a molecular weight of 222.27 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[3,2-d]pyrimidin-4-ylbutanoic acid is sourced from PubChem (CID 104572046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).