2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C9H11N3O4 — CID 80501607

IUPAC2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCC(=O)c1cn(CC(N)=O)c(=O)n(C)c1=O
InChIInChI=1S/C9H11N3O4/c1-5(13)6-3-12(4-7(10)14)9(16)11(2)8(6)15/h3H,4H2,1-2H3,(H2,10,14)
InChIKeyKLGPWDWQJAHISS-UHFFFAOYSA-N
MW225.20 g/mol
LogP-1.77
Rot. Bonds3

About 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 80501607) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID80501607
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCC(=O)c1cn(CC(N)=O)c(=O)n(C)c1=O
InChIInChI=1S/C9H11N3O4/c1-5(13)6-3-12(4-7(10)14)9(16)11(2)8(6)15/h3H,4H2,1-2H3,(H2,10,14)
InChIKeyKLGPWDWQJAHISS-UHFFFAOYSA-N
XLogP-1.77
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-1.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 80501607) is 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is CC(=O)c1cn(CC(N)=O)c(=O)n(C)c1=O.
What is the InChIKey of 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is KLGPWDWQJAHISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-5(13)6-3-12(4-7(10)14)9(16)11(2)8(6)15/h3H,4H2,1-2H3,(H2,10,14).
What are the key properties of 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 225.20 g/mol, XLogP of -1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 80501607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).