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

C11H15N3O4 — CID 80501347

IUPAC2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1cc(C(C)=O)c(=O)n(C)c1=O
InChIInChI=1S/C11H15N3O4/c1-4-12-9(16)6-14-5-8(7(2)15)10(17)13(3)11(14)18/h5H,4,6H2,1-3H3,(H,12,16)
InChIKeyHZIVUMLKYFSPNJ-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.11
Rot. Bonds4

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

2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-ethylacetamide (PubChem CID 80501347) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-ethylacetamide
PubChem CID80501347
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1cc(C(C)=O)c(=O)n(C)c1=O
InChIInChI=1S/C11H15N3O4/c1-4-12-9(16)6-14-5-8(7(2)15)10(17)13(3)11(14)18/h5H,4,6H2,1-3H3,(H,12,16)
InChIKeyHZIVUMLKYFSPNJ-UHFFFAOYSA-N
XLogP-1.11
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.11
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-ethylacetamide?
The IUPAC name of 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-ethylacetamide (CID 80501347) is 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-ethylacetamide is CCNC(=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-ethylacetamide?
The InChIKey is HZIVUMLKYFSPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-4-12-9(16)6-14-5-8(7(2)15)10(17)13(3)11(14)18/h5H,4,6H2,1-3H3,(H,12,16).
What are the key properties of 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-ethylacetamide?
2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-ethylacetamide has a molecular weight of 253.26 g/mol, XLogP of -1.11, 4 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-ethylacetamide is sourced from PubChem (CID 80501347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).