6-chloro-3-(2,4-dibromo-5-methoxyphenyl)-5-ethyl-1H-pyrimidine-2,4-dione

C13H11Br2ClN2O3 — CID 103417243

IUPAC6-chloro-3-(2,4-dibromo-5-methoxyphenyl)-5-ethyl-1H-pyrimidine-2,4-dione
SMILESCCc1c(Cl)[nH]c(=O)n(-c2cc(OC)c(Br)cc2Br)c1=O
InChIInChI=1S/C13H11Br2ClN2O3/c1-3-6-11(16)17-13(20)18(12(6)19)9-5-10(21-2)8(15)4-7(9)14/h4-5H,3H2,1-2H3,(H,17,20)
InChIKeyQWEHUQLSGRQVKF-UHFFFAOYSA-N
MW438.50 g/mol
LogP3.28
Rot. Bonds3

About 6-chloro-3-(2,4-dibromo-5-methoxyphenyl)-5-ethyl-1H-pyrimidine-2,4-dione

6-chloro-3-(2,4-dibromo-5-methoxyphenyl)-5-ethyl-1H-pyrimidine-2,4-dione (PubChem CID 103417243) has the molecular formula C13H11Br2ClN2O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is 6-chloro-3-(2,4-dibromo-5-methoxyphenyl)-5-ethyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-(2,4-dibromo-5-methoxyphenyl)-5-ethyl-1H-pyrimidine-2,4-dione
PubChem CID103417243
Molecular FormulaC13H11Br2ClN2O3
Molecular Weight438.50 g/mol
Exact Mass435.88
IUPAC Name6-chloro-3-(2,4-dibromo-5-methoxyphenyl)-5-ethyl-1H-pyrimidine-2,4-dione
SMILESCCc1c(Cl)[nH]c(=O)n(-c2cc(OC)c(Br)cc2Br)c1=O
InChIInChI=1S/C13H11Br2ClN2O3/c1-3-6-11(16)17-13(20)18(12(6)19)9-5-10(21-2)8(15)4-7(9)14/h4-5H,3H2,1-2H3,(H,17,20)
InChIKeyQWEHUQLSGRQVKF-UHFFFAOYSA-N
XLogP3.28
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-(2,4-dibromo-5-methoxyphenyl)-5-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

Related Compounds

6-chloro-5-ethyl-3-(4-iodophenyl)-1H-pyrimidine-2,4-dione
CID 113404466
3-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-propyl-1H-pyrimidine-2,4-dione
CID 107795706
2-[[4-(2,4-dibromo-5-methoxyphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 103416880
1-(5-chloro-2-methoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115946125
1-(2,4-dibromo-5-methoxyphenyl)piperidin-4-one
CID 103414426
1-bromo-5-ethyl-2,4-dimethoxybenzene
CID 58764118
6-bromo-3-(2,4-dibromo-5-methoxyphenyl)-1H-benzimidazole-2-thione
CID 103415519
1-(2,4-dibromo-5-methoxyphenyl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 103417059
6-chloro-3-(3,5-dichloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-2,4-dione
CID 107581193
4-tert-butyl-3-(2,4-dibromo-5-methoxyphenyl)-1H-imidazole-2-thione
CID 103416306
5-ethyl-1-(4-fluoro-2-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 115947418
5-chloro-1-(2,4-dibromo-5-methoxyphenyl)benzimidazol-2-amine
CID 103415731

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,4-dibromo-5-methoxyphenyl)-5-ethyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-(2,4-dibromo-5-methoxyphenyl)-5-ethyl-1H-pyrimidine-2,4-dione (CID 103417243) is 6-chloro-3-(2,4-dibromo-5-methoxyphenyl)-5-ethyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-(2,4-dibromo-5-methoxyphenyl)-5-ethyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-(2,4-dibromo-5-methoxyphenyl)-5-ethyl-1H-pyrimidine-2,4-dione is CCc1c(Cl)[nH]c(=O)n(-c2cc(OC)c(Br)cc2Br)c1=O.
What is the InChIKey of 6-chloro-3-(2,4-dibromo-5-methoxyphenyl)-5-ethyl-1H-pyrimidine-2,4-dione?
The InChIKey is QWEHUQLSGRQVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2ClN2O3/c1-3-6-11(16)17-13(20)18(12(6)19)9-5-10(21-2)8(15)4-7(9)14/h4-5H,3H2,1-2H3,(H,17,20).
What are the key properties of 6-chloro-3-(2,4-dibromo-5-methoxyphenyl)-5-ethyl-1H-pyrimidine-2,4-dione?
6-chloro-3-(2,4-dibromo-5-methoxyphenyl)-5-ethyl-1H-pyrimidine-2,4-dione has a molecular weight of 438.50 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,4-dibromo-5-methoxyphenyl)-5-ethyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 103417243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).