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

C19H21N5O2 — CID 4972526

IUPAC6-(4-ethylphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
SMILESCCc1ccc(-n2c(C)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1
InChIInChI=1S/C19H21N5O2/c1-6-13-7-9-14(10-8-13)23-11(2)12(3)24-15-16(20-18(23)24)21(4)19(26)22(5)17(15)25/h7-10H,6H2,1-5H3
InChIKeyCTPJPHZHBBXPMQ-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.85
Rot. Bonds2

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

6-(4-ethylphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 4972526) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-(4-ethylphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
PubChem CID4972526
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name6-(4-ethylphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
SMILESCCc1ccc(-n2c(C)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1
InChIInChI=1S/C19H21N5O2/c1-6-13-7-9-14(10-8-13)23-11(2)12(3)24-15-16(20-18(23)24)21(4)19(26)22(5)17(15)25/h7-10H,6H2,1-5H3
InChIKeyCTPJPHZHBBXPMQ-UHFFFAOYSA-N
XLogP1.85
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-(2,4,7,8-tetramethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl)benzoate
CID 16614317
methyl 2-[6-(4-ethylphenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate
CID 16613890
6-(4-ethylphenyl)-4,7,8-trimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione
CID 4890876
ethyl 2-[6-(4-ethylphenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate
CID 16623672
4,7,8-trimethyl-6-(4-methylphenyl)-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione
CID 16623711
6-(4-fluorophenyl)-4,7,8-trimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione
CID 16623578
ethyl 4-[4,7,8-trimethyl-1,3-dioxo-2-(2-oxopropyl)purino[7,8-a]imidazol-6-yl]benzoate
CID 16614305
6-(4-butylphenyl)-2-(2-ethoxyethyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16623960
methyl 2-[6-(4-butylphenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate
CID 16623964
6-(4-chlorophenyl)-2-(2-ethoxyethyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16623953
7-(4-chlorophenyl)-6-(4-ethylphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 3737806
6-(2-methoxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
CID 3165145

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-(4-ethylphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione (CID 4972526) is 6-(4-ethylphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-(4-ethylphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-(4-ethylphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione is CCc1ccc(-n2c(C)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is CTPJPHZHBBXPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-6-13-7-9-14(10-8-13)23-11(2)12(3)24-15-16(20-18(23)24)21(4)19(26)22(5)17(15)25/h7-10H,6H2,1-5H3.
What are the key properties of 6-(4-ethylphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione?
6-(4-ethylphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 351.41 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 4972526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).