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

C18H19N5O2 — CID 6484896

IUPAC6-(2,4-dimethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
SMILESCc1ccc(-n2c(C)c(C)n3c4c(=O)[nH]c(=O)n(C)c4nc23)c(C)c1
InChIInChI=1S/C18H19N5O2/c1-9-6-7-13(10(2)8-9)22-11(3)12(4)23-14-15(19-17(22)23)21(5)18(25)20-16(14)24/h6-8H,1-5H3,(H,20,24,25)
InChIKeyUJSYAKSRFOTMLD-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.90
Rot. Bonds1

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

6-(2,4-dimethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 6484896) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
PubChem CID6484896
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name6-(2,4-dimethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
SMILESCc1ccc(-n2c(C)c(C)n3c4c(=O)[nH]c(=O)n(C)c4nc23)c(C)c1
InChIInChI=1S/C18H19N5O2/c1-9-6-7-13(10(2)8-9)22-11(3)12(4)23-14-15(19-17(22)23)21(5)18(25)20-16(14)24/h6-8H,1-5H3,(H,20,24,25)
InChIKeyUJSYAKSRFOTMLD-UHFFFAOYSA-N
XLogP1.90
TPSA77.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2,4-dimethylphenyl)-4,7,8-trimethylpurino[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 6-(2,4-dimethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-(2,4-dimethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione (CID 6484896) is 6-(2,4-dimethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-(2,4-dimethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-(2,4-dimethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione is Cc1ccc(-n2c(C)c(C)n3c4c(=O)[nH]c(=O)n(C)c4nc23)c(C)c1.
What is the InChIKey of 6-(2,4-dimethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is UJSYAKSRFOTMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-9-6-7-13(10(2)8-9)22-11(3)12(4)23-14-15(19-17(22)23)21(5)18(25)20-16(14)24/h6-8H,1-5H3,(H,20,24,25).
What are the key properties of 6-(2,4-dimethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione?
6-(2,4-dimethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 337.38 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 6484896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).