6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione

C24H30N6O3 — CID 16615712

IUPAC6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione
SMILESCOc1ccc(Cn2c(C)cn3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)cc1
InChIInChI=1S/C24H30N6O3/c1-17-15-30-20-21(25-23(30)29(17)16-18-7-9-19(33-3)10-8-18)26(2)24(32)28(22(20)31)14-13-27-11-5-4-6-12-27/h7-10,15H,4-6,11-14,16H2,1-3H3
InChIKeyGTBRPYXIZBQVSL-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.00
Rot. Bonds6

About 6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione

6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione (PubChem CID 16615712) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione
PubChem CID16615712
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione
SMILESCOc1ccc(Cn2c(C)cn3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)cc1
InChIInChI=1S/C24H30N6O3/c1-17-15-30-20-21(25-23(30)29(17)16-18-7-9-19(33-3)10-8-18)26(2)24(32)28(22(20)31)14-13-27-11-5-4-6-12-27/h7-10,15H,4-6,11-14,16H2,1-3H3
InChIKeyGTBRPYXIZBQVSL-UHFFFAOYSA-N
XLogP2.00
TPSA78.70 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione
CID 4899896
6-(2,4-dimethoxyphenyl)-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione
CID 4859138
6-(4-methoxyphenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
CID 4891036
6-cyclopentyl-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione
CID 6463293
6-ethyl-4,7-dimethyl-2-[(4-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione
CID 16810087
6-(2,5-dimethoxyphenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
CID 16626567
methyl 2-[2-[(4-chlorophenyl)methyl]-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]acetate
CID 45494670
2-[(2,6-dichlorophenyl)methyl]-4,7-dimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
CID 16811884
4,6,7-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
CID 16810086
4,7-dimethyl-6-[2-[4-[3-methyl-1-[(4-methylphenyl)methyl]-2,6-dioxo-7-(2-oxopropyl)purin-8-yl]piperazin-1-yl]ethyl]-2-[(4-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione
CID 47077403
ethyl 2-[4,7-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxopurino[7,8-a]imidazol-6-yl]acetate
CID 16623622
4,7-dimethyl-6-(2-morpholin-4-ylethyl)-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione
CID 16616211

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione (CID 16615712) is 6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione is COc1ccc(Cn2c(C)cn3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione?
The InChIKey is GTBRPYXIZBQVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-17-15-30-20-21(25-23(30)29(17)16-18-7-9-19(33-3)10-8-18)26(2)24(32)28(22(20)31)14-13-27-11-5-4-6-12-27/h7-10,15H,4-6,11-14,16H2,1-3H3.
What are the key properties of 6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione?
6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione has a molecular weight of 450.54 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 16615712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).