6-acetyl-5-bromo-1H-pyrimidine-2,4-dione

C6H5BrN2O3 — CID 83866860

IUPAC6-acetyl-5-bromo-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1[nH]c(=O)[nH]c(=O)c1Br
InChIInChI=1S/C6H5BrN2O3/c1-2(10)4-3(7)5(11)9-6(12)8-4/h1H3,(H2,8,9,11,12)
InChIKeyCNWVJSRMTGNTCI-UHFFFAOYSA-N
MW233.02 g/mol
LogP0.03
Rot. Bonds1

About 6-acetyl-5-bromo-1H-pyrimidine-2,4-dione

6-acetyl-5-bromo-1H-pyrimidine-2,4-dione (PubChem CID 83866860) has the molecular formula C6H5BrN2O3 and a molecular weight of 233.02 g/mol. Its IUPAC name is 6-acetyl-5-bromo-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-acetyl-5-bromo-1H-pyrimidine-2,4-dione
PubChem CID83866860
Molecular FormulaC6H5BrN2O3
Molecular Weight233.02 g/mol
Exact Mass231.95
IUPAC Name6-acetyl-5-bromo-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1[nH]c(=O)[nH]c(=O)c1Br
InChIInChI=1S/C6H5BrN2O3/c1-2(10)4-3(7)5(11)9-6(12)8-4/h1H3,(H2,8,9,11,12)
InChIKeyCNWVJSRMTGNTCI-UHFFFAOYSA-N
XLogP0.03
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.02
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-5-bromo-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-acetyl-5-bromo-1H-pyrimidine-2,4-dione (CID 83866860) is 6-acetyl-5-bromo-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-acetyl-5-bromo-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-acetyl-5-bromo-1H-pyrimidine-2,4-dione is CC(=O)c1[nH]c(=O)[nH]c(=O)c1Br.
What is the InChIKey of 6-acetyl-5-bromo-1H-pyrimidine-2,4-dione?
The InChIKey is CNWVJSRMTGNTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O3/c1-2(10)4-3(7)5(11)9-6(12)8-4/h1H3,(H2,8,9,11,12).
What are the key properties of 6-acetyl-5-bromo-1H-pyrimidine-2,4-dione?
6-acetyl-5-bromo-1H-pyrimidine-2,4-dione has a molecular weight of 233.02 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-5-bromo-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 83866860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).