8-ethyl-6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione

C23H21N5O3 — CID 16762575

IUPAC8-ethyl-6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
SMILESCCc1c(-c2ccccc2)n(-c2ccccc2O)c2nc3c(c(=O)n(C)c(=O)n3C)n12
InChIInChI=1S/C23H21N5O3/c1-4-15-18(14-10-6-5-7-11-14)28(16-12-8-9-13-17(16)29)22-24-20-19(27(15)22)21(30)26(3)23(31)25(20)2/h5-13,29H,4H2,1-3H3
InChIKeyNFEHLEIIBHKWDY-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.61
Rot. Bonds3

About 8-ethyl-6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione

8-ethyl-6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 16762575) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 8-ethyl-6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name8-ethyl-6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
PubChem CID16762575
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name8-ethyl-6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
SMILESCCc1c(-c2ccccc2)n(-c2ccccc2O)c2nc3c(c(=O)n(C)c(=O)n3C)n12
InChIInChI=1S/C23H21N5O3/c1-4-15-18(14-10-6-5-7-11-14)28(16-12-8-9-13-17(16)29)22-24-20-19(27(15)22)21(30)26(3)23(31)25(20)2/h5-13,29H,4H2,1-3H3
InChIKeyNFEHLEIIBHKWDY-UHFFFAOYSA-N
XLogP2.61
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-ethyl-6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione with MolForge

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Related Compounds

6-(3-chlorophenyl)-8-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 1045820
8-ethyl-6-(3-fluorophenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 3803948
6-butyl-8-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 3790076
8-butyl-2,4-dimethyl-6,7-diphenylpurino[7,8-a]imidazole-1,3-dione
CID 16765140
8-ethyl-6-[(2S)-2-hydroxy-2-phenylethyl]-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 1205188
6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 1383251
2-butyl-6-(2-hydroxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16610339
6-(2-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 3162669
8-ethyl-2,4-dimethyl-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione
CID 558330
2-ethyl-6-(2-ethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16615744
6-(4-methoxyphenyl)-2,4,8-trimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 5298982
6-(2-ethylphenyl)-4-methyl-2-(2-oxopropyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 16626984

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 8-ethyl-6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione (CID 16762575) is 8-ethyl-6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 8-ethyl-6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 8-ethyl-6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione is CCc1c(-c2ccccc2)n(-c2ccccc2O)c2nc3c(c(=O)n(C)c(=O)n3C)n12.
What is the InChIKey of 8-ethyl-6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is NFEHLEIIBHKWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-4-15-18(14-10-6-5-7-11-14)28(16-12-8-9-13-17(16)29)22-24-20-19(27(15)22)21(30)26(3)23(31)25(20)2/h5-13,29H,4H2,1-3H3.
What are the key properties of 8-ethyl-6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?
8-ethyl-6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 415.45 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 16762575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).