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

C10H13N3O4 — CID 80501346

IUPAC2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1cc(C(C)=O)c(=O)n(C)c1=O
InChIInChI=1S/C10H13N3O4/c1-6(14)7-4-13(5-8(15)11-2)10(17)12(3)9(7)16/h4H,5H2,1-3H3,(H,11,15)
InChIKeyNJEGDWDGWOZHEX-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.50
Rot. Bonds3

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

2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-methylacetamide (PubChem CID 80501346) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-methylacetamide
PubChem CID80501346
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1cc(C(C)=O)c(=O)n(C)c1=O
InChIInChI=1S/C10H13N3O4/c1-6(14)7-4-13(5-8(15)11-2)10(17)12(3)9(7)16/h4H,5H2,1-3H3,(H,11,15)
InChIKeyNJEGDWDGWOZHEX-UHFFFAOYSA-N
XLogP-1.50
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.50
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)-N-methylacetamide?
The IUPAC name of 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-methylacetamide (CID 80501346) is 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-methylacetamide is CNC(=O)Cn1cc(C(C)=O)c(=O)n(C)c1=O.
What is the InChIKey of 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-methylacetamide?
The InChIKey is NJEGDWDGWOZHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-6(14)7-4-13(5-8(15)11-2)10(17)12(3)9(7)16/h4H,5H2,1-3H3,(H,11,15).
What are the key properties of 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-methylacetamide?
2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-methylacetamide has a molecular weight of 239.23 g/mol, XLogP of -1.50, 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)-N-methylacetamide is sourced from PubChem (CID 80501346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).