N-(4-acetyl-5-bromo-6-oxo-1H-pyrimidin-2-yl)acetamide

C8H8BrN3O3 — CID 135744005

IUPACN-(4-acetyl-5-bromo-6-oxo-1H-pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc(C(C)=O)c(Br)c(=O)[nH]1
InChIInChI=1S/C8H8BrN3O3/c1-3(13)6-5(9)7(15)12-8(11-6)10-4(2)14/h1-2H3,(H2,10,11,12,14,15)
InChIKeyDJAXFNIPOVAVRH-UHFFFAOYSA-N
MW274.07 g/mol
LogP0.69
Rot. Bonds2

About N-(4-acetyl-5-bromo-6-oxo-1H-pyrimidin-2-yl)acetamide

N-(4-acetyl-5-bromo-6-oxo-1H-pyrimidin-2-yl)acetamide (PubChem CID 135744005) has the molecular formula C8H8BrN3O3 and a molecular weight of 274.07 g/mol. Its IUPAC name is N-(4-acetyl-5-bromo-6-oxo-1H-pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetyl-5-bromo-6-oxo-1H-pyrimidin-2-yl)acetamide
PubChem CID135744005
Molecular FormulaC8H8BrN3O3
Molecular Weight274.07 g/mol
Exact Mass272.97
IUPAC NameN-(4-acetyl-5-bromo-6-oxo-1H-pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc(C(C)=O)c(Br)c(=O)[nH]1
InChIInChI=1S/C8H8BrN3O3/c1-3(13)6-5(9)7(15)12-8(11-6)10-4(2)14/h1-2H3,(H2,10,11,12,14,15)
InChIKeyDJAXFNIPOVAVRH-UHFFFAOYSA-N
XLogP0.69
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.07
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-5-bromo-6-oxo-1H-pyrimidin-2-yl)acetamide?
The IUPAC name of N-(4-acetyl-5-bromo-6-oxo-1H-pyrimidin-2-yl)acetamide (CID 135744005) is N-(4-acetyl-5-bromo-6-oxo-1H-pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(4-acetyl-5-bromo-6-oxo-1H-pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(4-acetyl-5-bromo-6-oxo-1H-pyrimidin-2-yl)acetamide is CC(=O)Nc1nc(C(C)=O)c(Br)c(=O)[nH]1.
What is the InChIKey of N-(4-acetyl-5-bromo-6-oxo-1H-pyrimidin-2-yl)acetamide?
The InChIKey is DJAXFNIPOVAVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O3/c1-3(13)6-5(9)7(15)12-8(11-6)10-4(2)14/h1-2H3,(H2,10,11,12,14,15).
What are the key properties of N-(4-acetyl-5-bromo-6-oxo-1H-pyrimidin-2-yl)acetamide?
N-(4-acetyl-5-bromo-6-oxo-1H-pyrimidin-2-yl)acetamide has a molecular weight of 274.07 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-5-bromo-6-oxo-1H-pyrimidin-2-yl)acetamide is sourced from PubChem (CID 135744005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).