2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

C8H7BrF3N3O3 — CID 107104329

IUPAC2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1c(=O)[nH]cc(Br)c1=O)NCC(F)(F)F
InChIInChI=1S/C8H7BrF3N3O3/c9-4-1-13-7(18)15(6(4)17)2-5(16)14-3-8(10,11)12/h1H,2-3H2,(H,13,18)(H,14,16)
InChIKeyRSWSRTKWKXSSTM-UHFFFAOYSA-N
MW330.06 g/mol
LogP-0.02
Rot. Bonds3

About 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 107104329) has the molecular formula C8H7BrF3N3O3 and a molecular weight of 330.06 g/mol. Its IUPAC name is 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID107104329
Molecular FormulaC8H7BrF3N3O3
Molecular Weight330.06 g/mol
Exact Mass328.96
IUPAC Name2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1c(=O)[nH]cc(Br)c1=O)NCC(F)(F)F
InChIInChI=1S/C8H7BrF3N3O3/c9-4-1-13-7(18)15(6(4)17)2-5(16)14-3-8(10,11)12/h1H,2-3H2,(H,13,18)(H,14,16)
InChIKeyRSWSRTKWKXSSTM-UHFFFAOYSA-N
XLogP-0.02
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.06
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetyl bromide
CID 141161926
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 40151526
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide
CID 40169300
2-(2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 47123707
2-(5-fluoro-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)acetamide
CID 56684003
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60699336
5-Fluoro-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-2,4-dione
CID 63557200
5-Bromo-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 63776730
5-Bromo-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-2,4-dione
CID 63777448
5-Bromo-1-(difluoromethyl)pyrimidine-2,4-dione
CID 63778001
5-Bromo-1-(2,2-difluoroethyl)pyrimidine-2,4-dione
CID 63779096
2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 63800250

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 107104329) is 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1c(=O)[nH]cc(Br)c1=O)NCC(F)(F)F.
What is the InChIKey of 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RSWSRTKWKXSSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3N3O3/c9-4-1-13-7(18)15(6(4)17)2-5(16)14-3-8(10,11)12/h1H,2-3H2,(H,13,18)(H,14,16).
What are the key properties of 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 330.06 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 107104329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).