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

C6H5BrClN3O2 — CID 114583487

IUPAC2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)acetamide
SMILESNC(=O)Cn1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C6H5BrClN3O2/c7-4-5(8)10-2-11(6(4)13)1-3(9)12/h2H,1H2,(H2,9,12)
InChIKeyQRUZUDIFEGTDQD-UHFFFAOYSA-N
MW266.48 g/mol
LogP0.14
Rot. Bonds2

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

2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)acetamide (PubChem CID 114583487) has the molecular formula C6H5BrClN3O2 and a molecular weight of 266.48 g/mol. Its IUPAC name is 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)acetamide
PubChem CID114583487
Molecular FormulaC6H5BrClN3O2
Molecular Weight266.48 g/mol
Exact Mass264.93
IUPAC Name2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)acetamide
SMILESNC(=O)Cn1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C6H5BrClN3O2/c7-4-5(8)10-2-11(6(4)13)1-3(9)12/h2H,1H2,(H2,9,12)
InChIKeyQRUZUDIFEGTDQD-UHFFFAOYSA-N
XLogP0.14
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.48
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)acetamide (CID 114583487) is 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)acetamide is NC(=O)Cn1cnc(Cl)c(Br)c1=O.
What is the InChIKey of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is QRUZUDIFEGTDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClN3O2/c7-4-5(8)10-2-11(6(4)13)1-3(9)12/h2H,1H2,(H2,9,12).
What are the key properties of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)acetamide?
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 266.48 g/mol, XLogP of 0.14, 2 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)acetamide is sourced from PubChem (CID 114583487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).