6-(2,5-dimethoxyphenyl)-2-(2-ethoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione

C26H27N5O5 — CID 16623930

IUPAC6-(2,5-dimethoxyphenyl)-2-(2-ethoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
SMILESCCOCCn1c(=O)c2c(nc3n(-c4cc(OC)ccc4OC)c(-c4ccccc4)cn23)n(C)c1=O
InChIInChI=1S/C26H27N5O5/c1-5-36-14-13-29-24(32)22-23(28(2)26(29)33)27-25-30(22)16-20(17-9-7-6-8-10-17)31(25)19-15-18(34-3)11-12-21(19)35-4/h6-12,15-16H,5,13-14H2,1-4H3
InChIKeyXOPXZTSOROVTET-UHFFFAOYSA-N
MW489.53 g/mol
LogP2.86
Rot. Bonds8

About 6-(2,5-dimethoxyphenyl)-2-(2-ethoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione

6-(2,5-dimethoxyphenyl)-2-(2-ethoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 16623930) has the molecular formula C26H27N5O5 and a molecular weight of 489.53 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)-2-(2-ethoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)-2-(2-ethoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
PubChem CID16623930
Molecular FormulaC26H27N5O5
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC Name6-(2,5-dimethoxyphenyl)-2-(2-ethoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
SMILESCCOCCn1c(=O)c2c(nc3n(-c4cc(OC)ccc4OC)c(-c4ccccc4)cn23)n(C)c1=O
InChIInChI=1S/C26H27N5O5/c1-5-36-14-13-29-24(32)22-23(28(2)26(29)33)27-25-30(22)16-20(17-9-7-6-8-10-17)31(25)19-15-18(34-3)11-12-21(19)35-4/h6-12,15-16H,5,13-14H2,1-4H3
InChIKeyXOPXZTSOROVTET-UHFFFAOYSA-N
XLogP2.86
TPSA93.92 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2,5-dimethoxyphenyl)-2-(2-methoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 16615754
6-(2,4-dimethoxyphenyl)-2-ethyl-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 16623688
6-(2,4-dimethylphenyl)-2-(2-ethoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 16626576
6-(2,3-dimethylphenyl)-2-(2-ethoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 16623809
6-(3-chlorophenyl)-2-(2-ethoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 82018389
6-(2,5-dimethoxyphenyl)-4,7-dimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
CID 3163018
6-(2,4-dimethoxyphenyl)-4-methyl-2-(2-methylprop-2-enyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 16623625
6-(5-chloro-2-methoxyphenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 82018390
2-(3-hydroxypropyl)-6-(2-methoxyphenyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 44895873
6-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 4655266
6-(2,5-dimethylphenyl)-2-(2-methoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 16626590
6-(2,4-dimethylphenyl)-2-(2-methoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 16626618

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)-2-(2-ethoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-(2,5-dimethoxyphenyl)-2-(2-ethoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione (CID 16623930) is 6-(2,5-dimethoxyphenyl)-2-(2-ethoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)-2-(2-ethoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)-2-(2-ethoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione is CCOCCn1c(=O)c2c(nc3n(-c4cc(OC)ccc4OC)c(-c4ccccc4)cn23)n(C)c1=O.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)-2-(2-ethoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is XOPXZTSOROVTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O5/c1-5-36-14-13-29-24(32)22-23(28(2)26(29)33)27-25-30(22)16-20(17-9-7-6-8-10-17)31(25)19-15-18(34-3)11-12-21(19)35-4/h6-12,15-16H,5,13-14H2,1-4H3.
What are the key properties of 6-(2,5-dimethoxyphenyl)-2-(2-ethoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?
6-(2,5-dimethoxyphenyl)-2-(2-ethoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 489.53 g/mol, XLogP of 2.86, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)-2-(2-ethoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 16623930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).