1-(2-oxo-1H-pyridin-3-yl)pyrimidine-2,4-dione

C9H7N3O3 — CID 70245197

IUPAC1-(2-oxo-1H-pyridin-3-yl)pyrimidine-2,4-dione
SMILESO=c1ccn(-c2ccc[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C9H7N3O3/c13-7-3-5-12(9(15)11-7)6-2-1-4-10-8(6)14/h1-5H,(H,10,14)(H,11,13,15)
InChIKeyXGIIBFKEKWMBAD-UHFFFAOYSA-N
MW205.17 g/mol
LogP-0.79
Rot. Bonds1

About 1-(2-oxo-1H-pyridin-3-yl)pyrimidine-2,4-dione

1-(2-oxo-1H-pyridin-3-yl)pyrimidine-2,4-dione (PubChem CID 70245197) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 1-(2-oxo-1H-pyridin-3-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-oxo-1H-pyridin-3-yl)pyrimidine-2,4-dione
PubChem CID70245197
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name1-(2-oxo-1H-pyridin-3-yl)pyrimidine-2,4-dione
SMILESO=c1ccn(-c2ccc[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C9H7N3O3/c13-7-3-5-12(9(15)11-7)6-2-1-4-10-8(6)14/h1-5H,(H,10,14)(H,11,13,15)
InChIKeyXGIIBFKEKWMBAD-UHFFFAOYSA-N
XLogP-0.79
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1H-pyridin-3-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-(2-oxo-1H-pyridin-3-yl)pyrimidine-2,4-dione (CID 70245197) is 1-(2-oxo-1H-pyridin-3-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-oxo-1H-pyridin-3-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-oxo-1H-pyridin-3-yl)pyrimidine-2,4-dione is O=c1ccn(-c2ccc[nH]c2=O)c(=O)[nH]1.
What is the InChIKey of 1-(2-oxo-1H-pyridin-3-yl)pyrimidine-2,4-dione?
The InChIKey is XGIIBFKEKWMBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c13-7-3-5-12(9(15)11-7)6-2-1-4-10-8(6)14/h1-5H,(H,10,14)(H,11,13,15).
What are the key properties of 1-(2-oxo-1H-pyridin-3-yl)pyrimidine-2,4-dione?
1-(2-oxo-1H-pyridin-3-yl)pyrimidine-2,4-dione has a molecular weight of 205.17 g/mol, XLogP of -0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1H-pyridin-3-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 70245197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).