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

C8H7BrF3N3O3 — CID 60699336

IUPAC2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cc(Br)c(=O)[nH]c1=O)NCC(F)(F)F
InChIInChI=1S/C8H7BrF3N3O3/c9-4-1-15(7(18)14-6(4)17)2-5(16)13-3-8(10,11)12/h1H,2-3H2,(H,13,16)(H,14,17,18)
InChIKeyBUSRSFZPMBRYDD-UHFFFAOYSA-N
MW330.06 g/mol
LogP-0.02
Rot. Bonds3

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

2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60699336) has the molecular formula C8H7BrF3N3O3 and a molecular weight of 330.06 g/mol. Its IUPAC name is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60699336
Molecular FormulaC8H7BrF3N3O3
Molecular Weight330.06 g/mol
Exact Mass328.96
IUPAC Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cc(Br)c(=O)[nH]c1=O)NCC(F)(F)F
InChIInChI=1S/C8H7BrF3N3O3/c9-4-1-15(7(18)14-6(4)17)2-5(16)13-3-8(10,11)12/h1H,2-3H2,(H,13,16)(H,14,17,18)
InChIKeyBUSRSFZPMBRYDD-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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 60699336) is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCC(F)(F)F.
What is the InChIKey of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BUSRSFZPMBRYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3N3O3/c9-4-1-15(7(18)14-6(4)17)2-5(16)13-3-8(10,11)12/h1H,2-3H2,(H,13,16)(H,14,17,18).
What are the key properties of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-bromo-2,4-dioxopyrimidin-1-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-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60699336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).