2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C8H6BrClF3N3O2 — CID 114583609

IUPAC2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cnc(Cl)c(Br)c1=O)NCC(F)(F)F
InChIInChI=1S/C8H6BrClF3N3O2/c9-5-6(10)15-3-16(7(5)18)1-4(17)14-2-8(11,12)13/h3H,1-2H2,(H,14,17)
InChIKeyXCUYPCKZGLJSHA-UHFFFAOYSA-N
MW348.51 g/mol
LogP1.34
Rot. Bonds3

About 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 114583609) has the molecular formula C8H6BrClF3N3O2 and a molecular weight of 348.51 g/mol. Its IUPAC name is 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID114583609
Molecular FormulaC8H6BrClF3N3O2
Molecular Weight348.51 g/mol
Exact Mass346.93
IUPAC Name2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cnc(Cl)c(Br)c1=O)NCC(F)(F)F
InChIInChI=1S/C8H6BrClF3N3O2/c9-5-6(10)15-3-16(7(5)18)1-4(17)14-2-8(11,12)13/h3H,1-2H2,(H,14,17)
InChIKeyXCUYPCKZGLJSHA-UHFFFAOYSA-N
XLogP1.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 114583334
2-(5-bromo-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 66309569
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 114583701
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-phenylacetamide
CID 114583395
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
CID 114583697
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide
CID 114583560
2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 31523139
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 18775835
2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 122136488
5-bromo-6-chloro-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one
CID 106705730
2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 102685784
N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
CID 114582909

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 114583609) is 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1cnc(Cl)c(Br)c1=O)NCC(F)(F)F.
What is the InChIKey of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XCUYPCKZGLJSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClF3N3O2/c9-5-6(10)15-3-16(7(5)18)1-4(17)14-2-8(11,12)13/h3H,1-2H2,(H,14,17).
What are the key properties of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 348.51 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 114583609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).