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

C11H12F3N3O4 — CID 80500896

IUPAC2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)c1cn(CC(=O)NCC(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C11H12F3N3O4/c1-6(18)7-3-17(10(21)16(2)9(7)20)4-8(19)15-5-11(12,13)14/h3H,4-5H2,1-2H3,(H,15,19)
InChIKeyIEGSNLQVZNXFOG-UHFFFAOYSA-N
MW307.23 g/mol
LogP-0.57
Rot. Bonds4

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

2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 80500896) has the molecular formula C11H12F3N3O4 and a molecular weight of 307.23 g/mol. Its IUPAC name is 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID80500896
Molecular FormulaC11H12F3N3O4
Molecular Weight307.23 g/mol
Exact Mass307.08
IUPAC Name2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)c1cn(CC(=O)NCC(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C11H12F3N3O4/c1-6(18)7-3-17(10(21)16(2)9(7)20)4-8(19)15-5-11(12,13)14/h3H,4-5H2,1-2H3,(H,15,19)
InChIKeyIEGSNLQVZNXFOG-UHFFFAOYSA-N
XLogP-0.57
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 5-0.57
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-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 80500896) is 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is CC(=O)c1cn(CC(=O)NCC(F)(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IEGSNLQVZNXFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O4/c1-6(18)7-3-17(10(21)16(2)9(7)20)4-8(19)15-5-11(12,13)14/h3H,4-5H2,1-2H3,(H,15,19).
What are the key properties of 2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 307.23 g/mol, XLogP of -0.57, 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-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 80500896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).