5-acetyl-3-(4-ethylphenyl)-2,6-dioxopyrimidin-4-olate;trimethylazanium

C17H23N3O4 — CID 16682010

IUPAC5-acetyl-3-(4-ethylphenyl)-2,6-dioxopyrimidin-4-olate;trimethylazanium
SMILESCCc1ccc(-n2c([O-])c(C(C)=O)c(=O)[nH]c2=O)cc1.C[NH+](C)C
InChIInChI=1S/C14H14N2O4.C3H9N/c1-3-9-4-6-10(7-5-9)16-13(19)11(8(2)17)12(18)15-14(16)20;1-4(2)3/h4-7,19H,3H2,1-2H3,(H,15,18,20);1-3H3
InChIKeyXAAUCNLCSIQUHZ-UHFFFAOYSA-N
MW333.39 g/mol
LogP-0.87
Rot. Bonds3

About 5-acetyl-3-(4-ethylphenyl)-2,6-dioxopyrimidin-4-olate;trimethylazanium

5-acetyl-3-(4-ethylphenyl)-2,6-dioxopyrimidin-4-olate;trimethylazanium (PubChem CID 16682010) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-acetyl-3-(4-ethylphenyl)-2,6-dioxopyrimidin-4-olate;trimethylazanium.

Molecular Properties

Compound Name5-acetyl-3-(4-ethylphenyl)-2,6-dioxopyrimidin-4-olate;trimethylazanium
PubChem CID16682010
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name5-acetyl-3-(4-ethylphenyl)-2,6-dioxopyrimidin-4-olate;trimethylazanium
SMILESCCc1ccc(-n2c([O-])c(C(C)=O)c(=O)[nH]c2=O)cc1.C[NH+](C)C
InChIInChI=1S/C14H14N2O4.C3H9N/c1-3-9-4-6-10(7-5-9)16-13(19)11(8(2)17)12(18)15-14(16)20;1-4(2)3/h4-7,19H,3H2,1-2H3,(H,15,18,20);1-3H3
InChIKeyXAAUCNLCSIQUHZ-UHFFFAOYSA-N
XLogP-0.87
TPSA99.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(4-ethylphenyl)-2,6-dioxopyrimidin-4-olate;trimethylazanium?
The IUPAC name of 5-acetyl-3-(4-ethylphenyl)-2,6-dioxopyrimidin-4-olate;trimethylazanium (CID 16682010) is 5-acetyl-3-(4-ethylphenyl)-2,6-dioxopyrimidin-4-olate;trimethylazanium.
What is the SMILES notation for 5-acetyl-3-(4-ethylphenyl)-2,6-dioxopyrimidin-4-olate;trimethylazanium?
The canonical SMILES for 5-acetyl-3-(4-ethylphenyl)-2,6-dioxopyrimidin-4-olate;trimethylazanium is CCc1ccc(-n2c([O-])c(C(C)=O)c(=O)[nH]c2=O)cc1.C[NH+](C)C.
What is the InChIKey of 5-acetyl-3-(4-ethylphenyl)-2,6-dioxopyrimidin-4-olate;trimethylazanium?
The InChIKey is XAAUCNLCSIQUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4.C3H9N/c1-3-9-4-6-10(7-5-9)16-13(19)11(8(2)17)12(18)15-14(16)20;1-4(2)3/h4-7,19H,3H2,1-2H3,(H,15,18,20);1-3H3.
What are the key properties of 5-acetyl-3-(4-ethylphenyl)-2,6-dioxopyrimidin-4-olate;trimethylazanium?
5-acetyl-3-(4-ethylphenyl)-2,6-dioxopyrimidin-4-olate;trimethylazanium has a molecular weight of 333.39 g/mol, XLogP of -0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(4-ethylphenyl)-2,6-dioxopyrimidin-4-olate;trimethylazanium is sourced from PubChem (CID 16682010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).