8-bromo-9-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione

C15H14Br2N4O3 — CID 27954450

IUPAC8-bromo-9-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione
SMILESCOc1ccc(Br)cc1Cn1c(Br)nc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C15H14Br2N4O3/c1-19-12-11(13(22)20(2)15(19)23)18-14(17)21(12)7-8-6-9(16)4-5-10(8)24-3/h4-6H,7H2,1-3H3
InChIKeyCAVBBHNZYHJLSS-UHFFFAOYSA-N
MW458.11 g/mol
LogP2.02
Rot. Bonds3

About 8-bromo-9-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione

8-bromo-9-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione (PubChem CID 27954450) has the molecular formula C15H14Br2N4O3 and a molecular weight of 458.11 g/mol. Its IUPAC name is 8-bromo-9-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name8-bromo-9-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione
PubChem CID27954450
Molecular FormulaC15H14Br2N4O3
Molecular Weight458.11 g/mol
Exact Mass455.94
IUPAC Name8-bromo-9-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione
SMILESCOc1ccc(Br)cc1Cn1c(Br)nc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C15H14Br2N4O3/c1-19-12-11(13(22)20(2)15(19)23)18-14(17)21(12)7-8-6-9(16)4-5-10(8)24-3/h4-6H,7H2,1-3H3
InChIKeyCAVBBHNZYHJLSS-UHFFFAOYSA-N
XLogP2.02
TPSA71.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.11
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-bromo-9-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-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

8-bromo-9-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione
CID 30807919
3-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-one
CID 63769907
8-bromo-1,3-dimethyl-9-(3-methylbutyl)purine-2,6-dione
CID 38837894
8-bromo-9-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
CID 111126928
3,5-dibromo-1-[(5-bromo-2-methoxyphenyl)methyl]pyrazole
CID 114692719
2-[(5-bromo-2-methoxyphenyl)methyl]isoquinolin-1-one
CID 78915730
1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-2,6-dione
CID 54970604
(5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 40811680
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
3-[(5-bromo-2-methoxyphenyl)methyl]-5-iodo-1,3-benzoxazol-2-one
CID 79783341
3-[(5-bromo-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17428005
1-[(5-bromo-2-methoxyphenyl)methyl]-3,3-dimethylpiperazine-2,6-dione
CID 66069421

Frequently Asked Questions

What is the IUPAC name of 8-bromo-9-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 8-bromo-9-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione (CID 27954450) is 8-bromo-9-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 8-bromo-9-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 8-bromo-9-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione is COc1ccc(Br)cc1Cn1c(Br)nc2c(=O)n(C)c(=O)n(C)c21.
What is the InChIKey of 8-bromo-9-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione?
The InChIKey is CAVBBHNZYHJLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N4O3/c1-19-12-11(13(22)20(2)15(19)23)18-14(17)21(12)7-8-6-9(16)4-5-10(8)24-3/h4-6H,7H2,1-3H3.
What are the key properties of 8-bromo-9-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione?
8-bromo-9-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione has a molecular weight of 458.11 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-9-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 27954450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).