2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide

C8H9N3O4 — CID 80643040

IUPAC2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide
SMILESCC(=O)c1c[nH]c(=O)n(CC(N)=O)c1=O
InChIInChI=1S/C8H9N3O4/c1-4(12)5-2-10-8(15)11(7(5)14)3-6(9)13/h2H,3H2,1H3,(H2,9,13)(H,10,15)
InChIKeyINVAOGUTUIHKST-UHFFFAOYSA-N
MW211.18 g/mol
LogP-1.78
Rot. Bonds3

About 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide

2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide (PubChem CID 80643040) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide
PubChem CID80643040
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide
SMILESCC(=O)c1c[nH]c(=O)n(CC(N)=O)c1=O
InChIInChI=1S/C8H9N3O4/c1-4(12)5-2-10-8(15)11(7(5)14)3-6(9)13/h2H,3H2,1H3,(H2,9,13)(H,10,15)
InChIKeyINVAOGUTUIHKST-UHFFFAOYSA-N
XLogP-1.78
TPSA115.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-1.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide?
The IUPAC name of 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide (CID 80643040) is 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide.
What is the SMILES notation for 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide?
The canonical SMILES for 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide is CC(=O)c1c[nH]c(=O)n(CC(N)=O)c1=O.
What is the InChIKey of 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide?
The InChIKey is INVAOGUTUIHKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c1-4(12)5-2-10-8(15)11(7(5)14)3-6(9)13/h2H,3H2,1H3,(H2,9,13)(H,10,15).
What are the key properties of 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide?
2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide has a molecular weight of 211.18 g/mol, XLogP of -1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide is sourced from PubChem (CID 80643040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).