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

C9H10F3N3O3 — CID 60734844

IUPAC2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cn(CC(=O)NCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C9H10F3N3O3/c1-5-2-15(8(18)14-7(5)17)3-6(16)13-4-9(10,11)12/h2H,3-4H2,1H3,(H,13,16)(H,14,17,18)
InChIKeyMBJRDMJOENFXTF-UHFFFAOYSA-N
MW265.19 g/mol
LogP-0.48
Rot. Bonds3

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

2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60734844) has the molecular formula C9H10F3N3O3 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60734844
Molecular FormulaC9H10F3N3O3
Molecular Weight265.19 g/mol
Exact Mass265.07
IUPAC Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cn(CC(=O)NCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C9H10F3N3O3/c1-5-2-15(8(18)14-7(5)17)3-6(16)13-4-9(10,11)12/h2H,3-4H2,1H3,(H,13,16)(H,14,17,18)
InChIKeyMBJRDMJOENFXTF-UHFFFAOYSA-N
XLogP-0.48
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 60734844) is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1cn(CC(=O)NCC(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MBJRDMJOENFXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3/c1-5-2-15(8(18)14-7(5)17)3-6(16)13-4-9(10,11)12/h2H,3-4H2,1H3,(H,13,16)(H,14,17,18).
What are the key properties of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 265.19 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60734844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).