2,5-dibromo-4-ethyl-1H-pyrimidin-6-one

C6H6Br2N2O — CID 137000650

IUPAC2,5-dibromo-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(Br)[nH]c(=O)c1Br
InChIInChI=1S/C6H6Br2N2O/c1-2-3-4(7)5(11)10-6(8)9-3/h2H2,1H3,(H,9,10,11)
InChIKeyUSAXAKVITHLVSV-UHFFFAOYSA-N
MW281.94 g/mol
LogP1.86
Rot. Bonds1

About 2,5-dibromo-4-ethyl-1H-pyrimidin-6-one

2,5-dibromo-4-ethyl-1H-pyrimidin-6-one (PubChem CID 137000650) has the molecular formula C6H6Br2N2O and a molecular weight of 281.94 g/mol. Its IUPAC name is 2,5-dibromo-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-dibromo-4-ethyl-1H-pyrimidin-6-one
PubChem CID137000650
Molecular FormulaC6H6Br2N2O
Molecular Weight281.94 g/mol
Exact Mass279.88
IUPAC Name2,5-dibromo-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(Br)[nH]c(=O)c1Br
InChIInChI=1S/C6H6Br2N2O/c1-2-3-4(7)5(11)10-6(8)9-3/h2H2,1H3,(H,9,10,11)
InChIKeyUSAXAKVITHLVSV-UHFFFAOYSA-N
XLogP1.86
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.94
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dibromo-4-ethyl-1H-pyrimidin-6-one 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-dibromo-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2,5-dibromo-4-ethyl-1H-pyrimidin-6-one (CID 137000650) is 2,5-dibromo-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-dibromo-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-dibromo-4-ethyl-1H-pyrimidin-6-one is CCc1nc(Br)[nH]c(=O)c1Br.
What is the InChIKey of 2,5-dibromo-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is USAXAKVITHLVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br2N2O/c1-2-3-4(7)5(11)10-6(8)9-3/h2H2,1H3,(H,9,10,11).
What are the key properties of 2,5-dibromo-4-ethyl-1H-pyrimidin-6-one?
2,5-dibromo-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 281.94 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137000650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).