5-acetyl-3-pyridin-3-yl-1H-pyrimidine-2,4-dione

C11H9N3O3 — CID 80643260

IUPAC5-acetyl-3-pyridin-3-yl-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(-c2cccnc2)c1=O
InChIInChI=1S/C11H9N3O3/c1-7(15)9-6-13-11(17)14(10(9)16)8-3-2-4-12-5-8/h2-6H,1H3,(H,13,17)
InChIKeyKRSNBMPJSDVTGD-UHFFFAOYSA-N
MW231.21 g/mol
LogP0.12
Rot. Bonds2

About 5-acetyl-3-pyridin-3-yl-1H-pyrimidine-2,4-dione

5-acetyl-3-pyridin-3-yl-1H-pyrimidine-2,4-dione (PubChem CID 80643260) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 5-acetyl-3-pyridin-3-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-pyridin-3-yl-1H-pyrimidine-2,4-dione
PubChem CID80643260
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name5-acetyl-3-pyridin-3-yl-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(-c2cccnc2)c1=O
InChIInChI=1S/C11H9N3O3/c1-7(15)9-6-13-11(17)14(10(9)16)8-3-2-4-12-5-8/h2-6H,1H3,(H,13,17)
InChIKeyKRSNBMPJSDVTGD-UHFFFAOYSA-N
XLogP0.12
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dioxo-3-phenyl-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 166322105
5-acetyl-3-(3,4-difluorophenyl)-1H-pyrimidine-2,4-dione
CID 80643335
5-acetyl-3-(pyridin-4-ylmethyl)-1H-pyrimidine-2,4-dione
CID 80643620
5-acetyl-3-(1,3-benzodioxol-5-yl)-1H-pyrimidine-2,4-dione
CID 80643686
5-acetyl-3-[(3-methyl-2-pyridinyl)methyl]-1H-pyrimidine-2,4-dione
CID 80643852
5-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-2-fluorobenzonitrile
CID 80643209
N-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 4098818
5-acetyl-3-(1-ethylpyrazol-3-yl)-1H-pyrimidine-2,4-dione
CID 114250623
N-(4-acetylphenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 4113283
5-acetyl-4-phenyl-2-pyridin-3-ylpyridazin-3-one
CID 118937995
5-acetyl-3-cyclopentyl-1H-pyrimidine-2,4-dione
CID 80642763
5-acetyl-3-(1-pyridin-2-ylethyl)-1H-pyrimidine-2,4-dione
CID 80643338

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-pyridin-3-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-pyridin-3-yl-1H-pyrimidine-2,4-dione (CID 80643260) is 5-acetyl-3-pyridin-3-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-pyridin-3-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-pyridin-3-yl-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(-c2cccnc2)c1=O.
What is the InChIKey of 5-acetyl-3-pyridin-3-yl-1H-pyrimidine-2,4-dione?
The InChIKey is KRSNBMPJSDVTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c1-7(15)9-6-13-11(17)14(10(9)16)8-3-2-4-12-5-8/h2-6H,1H3,(H,13,17).
What are the key properties of 5-acetyl-3-pyridin-3-yl-1H-pyrimidine-2,4-dione?
5-acetyl-3-pyridin-3-yl-1H-pyrimidine-2,4-dione has a molecular weight of 231.21 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-pyridin-3-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80643260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).