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

C6H6BrN3O2 — CID 66308081

IUPAC2-(5-bromo-6-oxopyrimidin-1-yl)acetamide
SMILESNC(=O)Cn1cncc(Br)c1=O
InChIInChI=1S/C6H6BrN3O2/c7-4-1-9-3-10(6(4)12)2-5(8)11/h1,3H,2H2,(H2,8,11)
InChIKeyJEJJRNHEXQQAKS-UHFFFAOYSA-N
MW232.04 g/mol
LogP-0.51
Rot. Bonds2

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

2-(5-bromo-6-oxopyrimidin-1-yl)acetamide (PubChem CID 66308081) has the molecular formula C6H6BrN3O2 and a molecular weight of 232.04 g/mol. Its IUPAC name is 2-(5-bromo-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-6-oxopyrimidin-1-yl)acetamide
PubChem CID66308081
Molecular FormulaC6H6BrN3O2
Molecular Weight232.04 g/mol
Exact Mass230.96
IUPAC Name2-(5-bromo-6-oxopyrimidin-1-yl)acetamide
SMILESNC(=O)Cn1cncc(Br)c1=O
InChIInChI=1S/C6H6BrN3O2/c7-4-1-9-3-10(6(4)12)2-5(8)11/h1,3H,2H2,(H2,8,11)
InChIKeyJEJJRNHEXQQAKS-UHFFFAOYSA-N
XLogP-0.51
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.04
LogP ≤ 5-0.51
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)acetamide?
The IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)acetamide (CID 66308081) is 2-(5-bromo-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for 2-(5-bromo-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for 2-(5-bromo-6-oxopyrimidin-1-yl)acetamide is NC(=O)Cn1cncc(Br)c1=O.
What is the InChIKey of 2-(5-bromo-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is JEJJRNHEXQQAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3O2/c7-4-1-9-3-10(6(4)12)2-5(8)11/h1,3H,2H2,(H2,8,11).
What are the key properties of 2-(5-bromo-6-oxopyrimidin-1-yl)acetamide?
2-(5-bromo-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 232.04 g/mol, XLogP of -0.51, 2 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)acetamide is sourced from PubChem (CID 66308081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).