6-(4-ethoxyphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione

C20H23N5O4 — CID 16615759

IUPAC6-(4-ethoxyphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
SMILESCCOc1ccc(-n2c(C)cn3c4c(=O)n(CCOC)c(=O)n(C)c4nc23)cc1
InChIInChI=1S/C20H23N5O4/c1-5-29-15-8-6-14(7-9-15)25-13(2)12-24-16-17(21-19(24)25)22(3)20(27)23(18(16)26)10-11-28-4/h6-9,12H,5,10-11H2,1-4H3
InChIKeyZRWRRSCYDZLKIR-UHFFFAOYSA-N
MW397.44 g/mol
LogP1.49
Rot. Bonds6

About 6-(4-ethoxyphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione

6-(4-ethoxyphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 16615759) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
PubChem CID16615759
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name6-(4-ethoxyphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
SMILESCCOc1ccc(-n2c(C)cn3c4c(=O)n(CCOC)c(=O)n(C)c4nc23)cc1
InChIInChI=1S/C20H23N5O4/c1-5-29-15-8-6-14(7-9-15)25-13(2)12-24-16-17(21-19(24)25)22(3)20(27)23(18(16)26)10-11-28-4/h6-9,12H,5,10-11H2,1-4H3
InChIKeyZRWRRSCYDZLKIR-UHFFFAOYSA-N
XLogP1.49
TPSA84.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-(4-ethoxyphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione with MolForge

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Related Compounds

6-(4-fluorophenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 4892729
6-(4-chlorophenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 4888655
6-(2,5-dimethylphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 6484820
6-(4-methoxyphenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
CID 4891036
methyl 2-[4,7-dimethyl-6-(4-methylphenyl)-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate
CID 16797990
6-(4-chlorophenyl)-2-(2-methoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 16623963
6-(4-fluorophenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione
CID 7152019
7-(4-ethoxyphenyl)-6-(4-fluorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 3594037
ethyl 4-[4,7-dimethyl-1,3-dioxo-2-(2-oxopropyl)purino[7,8-a]imidazol-6-yl]benzoate
CID 4902116
4-(2-ethyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl)benzamide
CID 45498296
6-(2,5-dimethoxyphenyl)-4,7-dimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
CID 3163018
6-(3,5-dimethylphenyl)-2-(2-methoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 16623561

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-(4-ethoxyphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione (CID 16615759) is 6-(4-ethoxyphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-(4-ethoxyphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-(4-ethoxyphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione is CCOc1ccc(-n2c(C)cn3c4c(=O)n(CCOC)c(=O)n(C)c4nc23)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is ZRWRRSCYDZLKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-5-29-15-8-6-14(7-9-15)25-13(2)12-24-16-17(21-19(24)25)22(3)20(27)23(18(16)26)10-11-28-4/h6-9,12H,5,10-11H2,1-4H3.
What are the key properties of 6-(4-ethoxyphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione?
6-(4-ethoxyphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 397.44 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 16615759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).