6-(4-bromobenzoyl)-1H-pyrimidine-2,4-dione

C11H7BrN2O3 — CID 11119974

IUPAC6-(4-bromobenzoyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1ccc(Br)cc1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H7BrN2O3/c12-7-3-1-6(2-4-7)10(16)8-5-9(15)14-11(17)13-8/h1-5H,(H2,13,14,15,17)
InChIKeyBJHSHNRIXSMAIE-UHFFFAOYSA-N
MW295.09 g/mol
LogP1.06
Rot. Bonds2

About 6-(4-bromobenzoyl)-1H-pyrimidine-2,4-dione

6-(4-bromobenzoyl)-1H-pyrimidine-2,4-dione (PubChem CID 11119974) has the molecular formula C11H7BrN2O3 and a molecular weight of 295.09 g/mol. Its IUPAC name is 6-(4-bromobenzoyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-bromobenzoyl)-1H-pyrimidine-2,4-dione
PubChem CID11119974
Molecular FormulaC11H7BrN2O3
Molecular Weight295.09 g/mol
Exact Mass293.96
IUPAC Name6-(4-bromobenzoyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1ccc(Br)cc1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H7BrN2O3/c12-7-3-1-6(2-4-7)10(16)8-5-9(15)14-11(17)13-8/h1-5H,(H2,13,14,15,17)
InChIKeyBJHSHNRIXSMAIE-UHFFFAOYSA-N
XLogP1.06
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.09
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromobenzoyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-bromobenzoyl)-1H-pyrimidine-2,4-dione (CID 11119974) is 6-(4-bromobenzoyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-bromobenzoyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-bromobenzoyl)-1H-pyrimidine-2,4-dione is O=C(c1ccc(Br)cc1)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(4-bromobenzoyl)-1H-pyrimidine-2,4-dione?
The InChIKey is BJHSHNRIXSMAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O3/c12-7-3-1-6(2-4-7)10(16)8-5-9(15)14-11(17)13-8/h1-5H,(H2,13,14,15,17).
What are the key properties of 6-(4-bromobenzoyl)-1H-pyrimidine-2,4-dione?
6-(4-bromobenzoyl)-1H-pyrimidine-2,4-dione has a molecular weight of 295.09 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromobenzoyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 11119974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).