2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid

C14H10N2O3S — CID 731332

IUPAC2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
SMILESO=C(O)Cn1cnc2scc(-c3ccccc3)c2c1=O
InChIInChI=1S/C14H10N2O3S/c17-11(18)6-16-8-15-13-12(14(16)19)10(7-20-13)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,17,18)
InChIKeySEIQKORHORESIS-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.21
Rot. Bonds3

About 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid

2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid (PubChem CID 731332) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
PubChem CID731332
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
SMILESO=C(O)Cn1cnc2scc(-c3ccccc3)c2c1=O
InChIInChI=1S/C14H10N2O3S/c17-11(18)6-16-8-15-13-12(14(16)19)10(7-20-13)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,17,18)
InChIKeySEIQKORHORESIS-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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Related Compounds

5-phenyl-3-propylthieno[2,3-d]pyrimidin-4-one
CID 731331
N-(2-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1404117
2-[5-(4-chloro-3-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid
CID 28899617
5-(4-ethylphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one
CID 7708377
N-(2,6-diethylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7674366
cyclohexyl 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetate
CID 1075278
5-(3,4-dimethylphenyl)-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 20999134
6-amino-1,3-dimethyl-5-[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione
CID 24564828
2-(5-bromo-4-oxothieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 129219198
5-(4-ethoxyphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one
CID 7708384
N-benzyl-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7672416
N-ethyl-N-(3-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7732204

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid?
The IUPAC name of 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid (CID 731332) is 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid?
The canonical SMILES for 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid is O=C(O)Cn1cnc2scc(-c3ccccc3)c2c1=O.
What is the InChIKey of 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid?
The InChIKey is SEIQKORHORESIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c17-11(18)6-16-8-15-13-12(14(16)19)10(7-20-13)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,17,18).
What are the key properties of 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid?
2-(4-oxo-5-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-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid is sourced from PubChem (CID 731332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).