2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetic acid

C8H6N2O3S — CID 3792097

IUPAC2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetic acid
SMILESO=C(O)Cn1cnc2sccc2c1=O
InChIInChI=1S/C8H6N2O3S/c11-6(12)3-10-4-9-7-5(8(10)13)1-2-14-7/h1-2,4H,3H2,(H,11,12)
InChIKeySIOPYHPEAZBTOT-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.54
Rot. Bonds2

About 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetic acid

2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetic acid (PubChem CID 3792097) has the molecular formula C8H6N2O3S and a molecular weight of 210.21 g/mol. Its IUPAC name is 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetic acid
PubChem CID3792097
Molecular FormulaC8H6N2O3S
Molecular Weight210.21 g/mol
Exact Mass210.01
IUPAC Name2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetic acid
SMILESO=C(O)Cn1cnc2sccc2c1=O
InChIInChI=1S/C8H6N2O3S/c11-6(12)3-10-4-9-7-5(8(10)13)1-2-14-7/h1-2,4H,3H2,(H,11,12)
InChIKeySIOPYHPEAZBTOT-UHFFFAOYSA-N
XLogP0.54
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetic acid?
The IUPAC name of 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetic acid (CID 3792097) is 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetic acid?
The canonical SMILES for 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetic acid is O=C(O)Cn1cnc2sccc2c1=O.
What is the InChIKey of 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetic acid?
The InChIKey is SIOPYHPEAZBTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S/c11-6(12)3-10-4-9-7-5(8(10)13)1-2-14-7/h1-2,4H,3H2,(H,11,12).
What are the key properties of 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetic acid?
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetic acid has a molecular weight of 210.21 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetic acid is sourced from PubChem (CID 3792097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).