5-hydroxy-6-oxo-2-[3-(piperidine-1-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid

C15H16N4O5S — CID 135434562

IUPAC5-hydroxy-6-oxo-2-[3-(piperidine-1-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2sccc2NC(=O)N2CCCCC2)[nH]c(=O)c1O
InChIInChI=1S/C15H16N4O5S/c20-10-9(14(22)23)17-12(18-13(10)21)11-8(4-7-25-11)16-15(24)19-5-2-1-3-6-19/h4,7,20H,1-3,5-6H2,(H,16,24)(H,22,23)(H,17,18,21)
InChIKeyZWINXZRYTOXEBO-UHFFFAOYSA-N
MW364.38 g/mol
LogP1.92
Rot. Bonds3

About 5-hydroxy-6-oxo-2-[3-(piperidine-1-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid

5-hydroxy-6-oxo-2-[3-(piperidine-1-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434562) has the molecular formula C15H16N4O5S and a molecular weight of 364.38 g/mol. Its IUPAC name is 5-hydroxy-6-oxo-2-[3-(piperidine-1-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-6-oxo-2-[3-(piperidine-1-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid
PubChem CID135434562
Molecular FormulaC15H16N4O5S
Molecular Weight364.38 g/mol
Exact Mass364.08
IUPAC Name5-hydroxy-6-oxo-2-[3-(piperidine-1-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2sccc2NC(=O)N2CCCCC2)[nH]c(=O)c1O
InChIInChI=1S/C15H16N4O5S/c20-10-9(14(22)23)17-12(18-13(10)21)11-8(4-7-25-11)16-15(24)19-5-2-1-3-6-19/h4,7,20H,1-3,5-6H2,(H,16,24)(H,22,23)(H,17,18,21)
InChIKeyZWINXZRYTOXEBO-UHFFFAOYSA-N
XLogP1.92
TPSA135.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-oxo-2-[3-(piperidine-1-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-6-oxo-2-[3-(piperidine-1-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid (CID 135434562) is 5-hydroxy-6-oxo-2-[3-(piperidine-1-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-6-oxo-2-[3-(piperidine-1-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-6-oxo-2-[3-(piperidine-1-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid is O=C(O)c1nc(-c2sccc2NC(=O)N2CCCCC2)[nH]c(=O)c1O.
What is the InChIKey of 5-hydroxy-6-oxo-2-[3-(piperidine-1-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid?
The InChIKey is ZWINXZRYTOXEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O5S/c20-10-9(14(22)23)17-12(18-13(10)21)11-8(4-7-25-11)16-15(24)19-5-2-1-3-6-19/h4,7,20H,1-3,5-6H2,(H,16,24)(H,22,23)(H,17,18,21).
What are the key properties of 5-hydroxy-6-oxo-2-[3-(piperidine-1-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid?
5-hydroxy-6-oxo-2-[3-(piperidine-1-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid has a molecular weight of 364.38 g/mol, XLogP of 1.92, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-oxo-2-[3-(piperidine-1-carbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).