2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid

C14H10N2O3S — CID 801032

IUPAC2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
SMILESO=C(O)Cn1cnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C14H10N2O3S/c17-12(18)7-16-8-15-13-10(14(16)19)6-11(20-13)9-4-2-1-3-5-9/h1-6,8H,7H2,(H,17,18)
InChIKeyCPBYPPJIQRNDEB-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.21
Rot. Bonds3

About 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid

2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid (PubChem CID 801032) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
PubChem CID801032
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
SMILESO=C(O)Cn1cnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C14H10N2O3S/c17-12(18)7-16-8-15-13-10(14(16)19)6-11(20-13)9-4-2-1-3-5-9/h1-6,8H,7H2,(H,17,18)
InChIKeyCPBYPPJIQRNDEB-UHFFFAOYSA-N
XLogP2.21
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid?
The IUPAC name of 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid (CID 801032) is 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid?
The canonical SMILES for 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid is O=C(O)Cn1cnc2sc(-c3ccccc3)cc2c1=O.
What is the InChIKey of 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid?
The InChIKey is CPBYPPJIQRNDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c17-12(18)7-16-8-15-13-10(14(16)19)6-11(20-13)9-4-2-1-3-5-9/h1-6,8H,7H2,(H,17,18).
What are the key properties of 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid?
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid has a molecular weight of 286.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid is sourced from PubChem (CID 801032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).