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

C18H21N5O3 — CID 6497223

IUPAC6-(2-ethoxyphenyl)-2-ethyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCCOc1ccccc1N1CCn2c1nc1c2c(=O)n(CC)c(=O)n1C
InChIInChI=1S/C18H21N5O3/c1-4-21-16(24)14-15(20(3)18(21)25)19-17-22(10-11-23(14)17)12-8-6-7-9-13(12)26-5-2/h6-9H,4-5,10-11H2,1-3H3
InChIKeyPBIIRJBSHSBMSV-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.47
Rot. Bonds4

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

6-(2-ethoxyphenyl)-2-ethyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (PubChem CID 6497223) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 6-(2-ethoxyphenyl)-2-ethyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-(2-ethoxyphenyl)-2-ethyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
PubChem CID6497223
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name6-(2-ethoxyphenyl)-2-ethyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCCOc1ccccc1N1CCn2c1nc1c2c(=O)n(CC)c(=O)n1C
InChIInChI=1S/C18H21N5O3/c1-4-21-16(24)14-15(20(3)18(21)25)19-17-22(10-11-23(14)17)12-8-6-7-9-13(12)26-5-2/h6-9H,4-5,10-11H2,1-3H3
InChIKeyPBIIRJBSHSBMSV-UHFFFAOYSA-N
XLogP1.47
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-ethyl-6-(2-methoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 4890611
2-ethyl-4-methyl-6-(2-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 4894620
2-[(4-chlorophenyl)methyl]-6-(2-methoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 4887931
ethyl 2-[9-(2-methoxyphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
CID 16613908
6-(2,3-dimethylphenyl)-2-(2-ethoxyethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 16812121
6-(2,3-dimethylphenyl)-4-methyl-2-[(2-methylphenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 16812114
3-ethyl-9-(4-fluorophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 4891153
6-(2,3-dimethylphenyl)-4-methyl-2-(2-piperidin-1-ylethyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 16589950
4-methyl-2-octadecyl-6-phenyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 82018337
6-(2,4-dimethoxyphenyl)-4-methyl-2-(3-phenylpropyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 666926
6-(2,5-dimethoxyphenyl)-2-(2-ethoxyethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 7586062
4-methyl-2-(2-methylpropyl)-6-phenyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 3651929

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyphenyl)-2-ethyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-(2-ethoxyphenyl)-2-ethyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (CID 6497223) is 6-(2-ethoxyphenyl)-2-ethyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-(2-ethoxyphenyl)-2-ethyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-(2-ethoxyphenyl)-2-ethyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is CCOc1ccccc1N1CCn2c1nc1c2c(=O)n(CC)c(=O)n1C.
What is the InChIKey of 6-(2-ethoxyphenyl)-2-ethyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The InChIKey is PBIIRJBSHSBMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-4-21-16(24)14-15(20(3)18(21)25)19-17-22(10-11-23(14)17)12-8-6-7-9-13(12)26-5-2/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of 6-(2-ethoxyphenyl)-2-ethyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
6-(2-ethoxyphenyl)-2-ethyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione has a molecular weight of 355.40 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyphenyl)-2-ethyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 6497223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).