6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione

C12H11BrN2O2 — CID 122239111

IUPAC6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)cc(-c2cccc(Br)c2)[nH]c1=O
InChIInChI=1S/C12H11BrN2O2/c1-2-15-11(16)7-10(14-12(15)17)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3,(H,14,17)
InChIKeyXCGRGCPGFCDWME-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.99
Rot. Bonds2

About 6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione

6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione (PubChem CID 122239111) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione
PubChem CID122239111
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)cc(-c2cccc(Br)c2)[nH]c1=O
InChIInChI=1S/C12H11BrN2O2/c1-2-15-11(16)7-10(14-12(15)17)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3,(H,14,17)
InChIKeyXCGRGCPGFCDWME-UHFFFAOYSA-N
XLogP1.99
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione 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 6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione (CID 122239111) is 6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione is CCn1c(=O)cc(-c2cccc(Br)c2)[nH]c1=O.
What is the InChIKey of 6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione?
The InChIKey is XCGRGCPGFCDWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-2-15-11(16)7-10(14-12(15)17)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3,(H,14,17).
What are the key properties of 6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione?
6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione has a molecular weight of 295.14 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-3-ethyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 122239111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).