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

C13H19N3O4 — CID 80501624

IUPAC2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-butylacetamide
SMILESCCCCNC(=O)Cn1cc(C(C)=O)c(=O)n(C)c1=O
InChIInChI=1S/C13H19N3O4/c1-4-5-6-14-11(18)8-16-7-10(9(2)17)12(19)15(3)13(16)20/h7H,4-6,8H2,1-3H3,(H,14,18)
InChIKeyNOBAXJOERBRVJP-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.33
Rot. Bonds6

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

2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-butylacetamide (PubChem CID 80501624) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-butylacetamide.

Molecular Properties

Compound Name2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-butylacetamide
PubChem CID80501624
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-butylacetamide
SMILESCCCCNC(=O)Cn1cc(C(C)=O)c(=O)n(C)c1=O
InChIInChI=1S/C13H19N3O4/c1-4-5-6-14-11(18)8-16-7-10(9(2)17)12(19)15(3)13(16)20/h7H,4-6,8H2,1-3H3,(H,14,18)
InChIKeyNOBAXJOERBRVJP-UHFFFAOYSA-N
XLogP-0.33
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-butylacetamide?
The IUPAC name of 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-butylacetamide (CID 80501624) is 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-butylacetamide.
What is the SMILES notation for 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-butylacetamide?
The canonical SMILES for 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-butylacetamide is CCCCNC(=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-butylacetamide?
The InChIKey is NOBAXJOERBRVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-4-5-6-14-11(18)8-16-7-10(9(2)17)12(19)15(3)13(16)20/h7H,4-6,8H2,1-3H3,(H,14,18).
What are the key properties of 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-butylacetamide?
2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-butylacetamide has a molecular weight of 281.31 g/mol, XLogP of -0.33, 6 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-butylacetamide is sourced from PubChem (CID 80501624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).