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

C8H7BrF3N3O2 — CID 66309569

IUPAC2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cncc(Br)c1=O)NCC(F)(F)F
InChIInChI=1S/C8H7BrF3N3O2/c9-5-1-13-4-15(7(5)17)2-6(16)14-3-8(10,11)12/h1,4H,2-3H2,(H,14,16)
InChIKeyOOHGEAYWSAFOIF-UHFFFAOYSA-N
MW314.06 g/mol
LogP0.68
Rot. Bonds3

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

2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 66309569) has the molecular formula C8H7BrF3N3O2 and a molecular weight of 314.06 g/mol. Its IUPAC name is 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID66309569
Molecular FormulaC8H7BrF3N3O2
Molecular Weight314.06 g/mol
Exact Mass312.97
IUPAC Name2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cncc(Br)c1=O)NCC(F)(F)F
InChIInChI=1S/C8H7BrF3N3O2/c9-5-1-13-4-15(7(5)17)2-6(16)14-3-8(10,11)12/h1,4H,2-3H2,(H,14,16)
InChIKeyOOHGEAYWSAFOIF-UHFFFAOYSA-N
XLogP0.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.06
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 66309569) is 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1cncc(Br)c1=O)NCC(F)(F)F.
What is the InChIKey of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OOHGEAYWSAFOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3N3O2/c9-5-1-13-4-15(7(5)17)2-6(16)14-3-8(10,11)12/h1,4H,2-3H2,(H,14,16).
What are the key properties of 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 314.06 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 66309569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).