6-(2,3-dimethylphenyl)-2-(2-ethoxyethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

C20H25N5O3 — CID 16812121

IUPAC6-(2,3-dimethylphenyl)-2-(2-ethoxyethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCCOCCn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2C)n(C)c1=O
InChIInChI=1S/C20H25N5O3/c1-5-28-12-11-25-18(26)16-17(22(4)20(25)27)21-19-23(9-10-24(16)19)15-8-6-7-13(2)14(15)3/h6-8H,5,9-12H2,1-4H3
InChIKeyKJYYOAPHIOWSEG-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.70
Rot. Bonds5

About 6-(2,3-dimethylphenyl)-2-(2-ethoxyethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

6-(2,3-dimethylphenyl)-2-(2-ethoxyethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (PubChem CID 16812121) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 6-(2,3-dimethylphenyl)-2-(2-ethoxyethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-(2,3-dimethylphenyl)-2-(2-ethoxyethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
PubChem CID16812121
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name6-(2,3-dimethylphenyl)-2-(2-ethoxyethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCCOCCn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2C)n(C)c1=O
InChIInChI=1S/C20H25N5O3/c1-5-28-12-11-25-18(26)16-17(22(4)20(25)27)21-19-23(9-10-24(16)19)15-8-6-7-13(2)14(15)3/h6-8H,5,9-12H2,1-4H3
InChIKeyKJYYOAPHIOWSEG-UHFFFAOYSA-N
XLogP1.70
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-(2,3-dimethylphenyl)-4-methyl-2-(2-piperidin-1-ylethyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 16589950
6-(2,3-dimethylphenyl)-4-methyl-2-[(2-methylphenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 16812114
(7R)-3-(2-ethoxyethyl)-1,7-dimethyl-9-(2-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 51401632
2-ethyl-4-methyl-6-(2-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 4894620
6-(2,5-dimethoxyphenyl)-2-(2-ethoxyethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 7586062
9-(2,3-dimethylphenyl)-1-methyl-3-(2-methylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 16812175
9-(2,3-dimethylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 16626137
3-(2-ethoxyethyl)-1,7-dimethyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 3996577
6-(2-ethoxyphenyl)-2-ethyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 6497223
6-(2,3-dimethylphenyl)-2-(2-ethoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 16623809
3-(2-ethoxyethyl)-1-methyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 3733499
2-ethyl-6-(2-methoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 4890611

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylphenyl)-2-(2-ethoxyethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-(2,3-dimethylphenyl)-2-(2-ethoxyethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (CID 16812121) is 6-(2,3-dimethylphenyl)-2-(2-ethoxyethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-(2,3-dimethylphenyl)-2-(2-ethoxyethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-(2,3-dimethylphenyl)-2-(2-ethoxyethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is CCOCCn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2C)n(C)c1=O.
What is the InChIKey of 6-(2,3-dimethylphenyl)-2-(2-ethoxyethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The InChIKey is KJYYOAPHIOWSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-5-28-12-11-25-18(26)16-17(22(4)20(25)27)21-19-23(9-10-24(16)19)15-8-6-7-13(2)14(15)3/h6-8H,5,9-12H2,1-4H3.
What are the key properties of 6-(2,3-dimethylphenyl)-2-(2-ethoxyethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
6-(2,3-dimethylphenyl)-2-(2-ethoxyethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione has a molecular weight of 383.45 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylphenyl)-2-(2-ethoxyethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 16812121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).