6-(4-bromophenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione

C16H14BrN5O2 — CID 4892656

IUPAC6-(4-bromophenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
SMILESCc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN5O2/c1-9-8-21-12-13(19(2)16(24)20(3)14(12)23)18-15(21)22(9)11-6-4-10(17)5-7-11/h4-8H,1-3H3
InChIKeyCUZBDASSSNTXBV-UHFFFAOYSA-N
MW388.23 g/mol
LogP1.75
Rot. Bonds1

About 6-(4-bromophenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione

6-(4-bromophenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 4892656) has the molecular formula C16H14BrN5O2 and a molecular weight of 388.23 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-(4-bromophenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
PubChem CID4892656
Molecular FormulaC16H14BrN5O2
Molecular Weight388.23 g/mol
Exact Mass387.03
IUPAC Name6-(4-bromophenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
SMILESCc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN5O2/c1-9-8-21-12-13(19(2)16(24)20(3)14(12)23)18-15(21)22(9)11-6-4-10(17)5-7-11/h4-8H,1-3H3
InChIKeyCUZBDASSSNTXBV-UHFFFAOYSA-N
XLogP1.75
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.23
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 7475808
6-(2-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 3162669
6-(4-fluorophenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione
CID 7152019
6-(4-bromophenyl)-2,4-dimethyl-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione
CID 4061341
2,4,7-trimethyl-6-(3-prop-2-enoxyphenyl)purino[7,8-a]imidazole-1,3-dione
CID 17495709
6-(4-fluorophenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 4892729
4,7-dimethyl-2-(3-methylbutyl)-6-[4-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione
CID 16623923
6-(3-bromo-4-methylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 1039534
6-(4-chlorophenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 4888655
4-(2-ethyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl)benzamide
CID 45498296
6-(4-chlorophenyl)-4,7-dimethyl-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione
CID 4887538
methyl 2-[4,7-dimethyl-6-(4-methylphenyl)-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate
CID 16797990

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-(4-bromophenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione (CID 4892656) is 6-(4-bromophenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-(4-bromophenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-(4-bromophenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione is Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccc(Br)cc1.
What is the InChIKey of 6-(4-bromophenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is CUZBDASSSNTXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O2/c1-9-8-21-12-13(19(2)16(24)20(3)14(12)23)18-15(21)22(9)11-6-4-10(17)5-7-11/h4-8H,1-3H3.
What are the key properties of 6-(4-bromophenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione?
6-(4-bromophenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 388.23 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 4892656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).