2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C9H9BrF3N3O2 — CID 66310930

IUPAC2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ncc(Br)c(=O)n1CC(=O)NCC(F)(F)F
InChIInChI=1S/C9H9BrF3N3O2/c1-5-14-2-6(10)8(18)16(5)3-7(17)15-4-9(11,12)13/h2H,3-4H2,1H3,(H,15,17)
InChIKeyKZENEFFQPATFPS-UHFFFAOYSA-N
MW328.09 g/mol
LogP0.99
Rot. Bonds3

About 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 66310930) has the molecular formula C9H9BrF3N3O2 and a molecular weight of 328.09 g/mol. Its IUPAC name is 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID66310930
Molecular FormulaC9H9BrF3N3O2
Molecular Weight328.09 g/mol
Exact Mass326.98
IUPAC Name2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ncc(Br)c(=O)n1CC(=O)NCC(F)(F)F
InChIInChI=1S/C9H9BrF3N3O2/c1-5-14-2-6(10)8(18)16(5)3-7(17)15-4-9(11,12)13/h2H,3-4H2,1H3,(H,15,17)
InChIKeyKZENEFFQPATFPS-UHFFFAOYSA-N
XLogP0.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.09
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 66310930) is 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1ncc(Br)c(=O)n1CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KZENEFFQPATFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3N3O2/c1-5-14-2-6(10)8(18)16(5)3-7(17)15-4-9(11,12)13/h2H,3-4H2,1H3,(H,15,17).
What are the key properties of 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 328.09 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 66310930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).