4,7-dimethyl-6-(2-morpholin-4-ylethyl)-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione

C24H30N6O3 — CID 16616211

IUPAC4,7-dimethyl-6-(2-morpholin-4-ylethyl)-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione
SMILESCc1cn2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc2n1CCN1CCOCC1
InChIInChI=1S/C24H30N6O3/c1-18-17-30-20-21(25-23(30)28(18)12-11-27-13-15-33-16-14-27)26(2)24(32)29(22(20)31)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,17H,6,9-16H2,1-2H3
InChIKeyRJIFHQGFGTVARD-UHFFFAOYSA-N
MW450.54 g/mol
LogP1.42
Rot. Bonds7

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

4,7-dimethyl-6-(2-morpholin-4-ylethyl)-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione (PubChem CID 16616211) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 4,7-dimethyl-6-(2-morpholin-4-ylethyl)-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name4,7-dimethyl-6-(2-morpholin-4-ylethyl)-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione
PubChem CID16616211
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name4,7-dimethyl-6-(2-morpholin-4-ylethyl)-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione
SMILESCc1cn2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc2n1CCN1CCOCC1
InChIInChI=1S/C24H30N6O3/c1-18-17-30-20-21(25-23(30)28(18)12-11-27-13-15-33-16-14-27)26(2)24(32)29(22(20)31)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,17H,6,9-16H2,1-2H3
InChIKeyRJIFHQGFGTVARD-UHFFFAOYSA-N
XLogP1.42
TPSA78.70 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4,7-dimethyl-6-(2-morpholin-4-ylethyl)-2-(3-phenylpropyl)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

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-6-(2-morpholin-4-ylethyl)-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 4,7-dimethyl-6-(2-morpholin-4-ylethyl)-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione (CID 16616211) is 4,7-dimethyl-6-(2-morpholin-4-ylethyl)-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 4,7-dimethyl-6-(2-morpholin-4-ylethyl)-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 4,7-dimethyl-6-(2-morpholin-4-ylethyl)-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione is Cc1cn2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc2n1CCN1CCOCC1.
What is the InChIKey of 4,7-dimethyl-6-(2-morpholin-4-ylethyl)-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione?
The InChIKey is RJIFHQGFGTVARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-18-17-30-20-21(25-23(30)28(18)12-11-27-13-15-33-16-14-27)26(2)24(32)29(22(20)31)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,17H,6,9-16H2,1-2H3.
What are the key properties of 4,7-dimethyl-6-(2-morpholin-4-ylethyl)-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione?
4,7-dimethyl-6-(2-morpholin-4-ylethyl)-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione has a molecular weight of 450.54 g/mol, XLogP of 1.42, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-6-(2-morpholin-4-ylethyl)-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 16616211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).