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

C20H23N5O2 — CID 16615744

IUPAC2-ethyl-6-(2-ethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
SMILESCCc1ccccc1-n1c(C)c(C)n2c3c(=O)n(CC)c(=O)n(C)c3nc12
InChIInChI=1S/C20H23N5O2/c1-6-14-10-8-9-11-15(14)24-12(3)13(4)25-16-17(21-19(24)25)22(5)20(27)23(7-2)18(16)26/h8-11H,6-7H2,1-5H3
InChIKeyKORMASCMFPLLLM-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.34
Rot. Bonds3

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

2-ethyl-6-(2-ethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 16615744) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-ethyl-6-(2-ethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name2-ethyl-6-(2-ethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
PubChem CID16615744
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-ethyl-6-(2-ethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
SMILESCCc1ccccc1-n1c(C)c(C)n2c3c(=O)n(CC)c(=O)n(C)c3nc12
InChIInChI=1S/C20H23N5O2/c1-6-14-10-8-9-11-15(14)24-12(3)13(4)25-16-17(21-19(24)25)22(5)20(27)23(7-2)18(16)26/h8-11H,6-7H2,1-5H3
InChIKeyKORMASCMFPLLLM-UHFFFAOYSA-N
XLogP2.34
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-butyl-6-(2-hydroxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16610339
6-(2-methoxyphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
CID 16615630
6-ethyl-4,7,8-trimethyl-2-[(2-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione
CID 3163148
4,7,8-trimethyl-6-(2-methylphenyl)-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione
CID 16798013
2-[6-(2-chlorophenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetamide
CID 6484601
6-(2-aminophenyl)-4,7,8-trimethyl-2-[(4-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione
CID 16626477
6-(2-ethoxyphenyl)-4,7,8-trimethyl-2-(2-phenylethyl)purino[7,8-a]imidazole-1,3-dione
CID 16623952
2-(3-hydroxypropyl)-6-(2-methoxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 4888155
6-(2-aminophenyl)-2-[(4-chlorophenyl)methyl]-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 44903732
6-(2,4-dimethylphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
CID 7214040
6-(2,3-dimethylphenyl)-4,7,8-trimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione
CID 16619038
methyl 2-[6-(2-chlorophenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate
CID 6492636

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-ethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 2-ethyl-6-(2-ethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione (CID 16615744) is 2-ethyl-6-(2-ethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 2-ethyl-6-(2-ethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 2-ethyl-6-(2-ethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione is CCc1ccccc1-n1c(C)c(C)n2c3c(=O)n(CC)c(=O)n(C)c3nc12.
What is the InChIKey of 2-ethyl-6-(2-ethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is KORMASCMFPLLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-6-14-10-8-9-11-15(14)24-12(3)13(4)25-16-17(21-19(24)25)22(5)20(27)23(7-2)18(16)26/h8-11H,6-7H2,1-5H3.
What are the key properties of 2-ethyl-6-(2-ethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione?
2-ethyl-6-(2-ethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 365.44 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-ethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 16615744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).