2-ethyl-4-methyl-6-(2-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

C17H19N5O2 — CID 4894620

IUPAC2-ethyl-4-methyl-6-(2-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCCn1c(=O)c2c(nc3n2CCN3c2ccccc2C)n(C)c1=O
InChIInChI=1S/C17H19N5O2/c1-4-20-15(23)13-14(19(3)17(20)24)18-16-21(9-10-22(13)16)12-8-6-5-7-11(12)2/h5-8H,4,9-10H2,1-3H3
InChIKeyBEVXSUVLVFYJRS-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.38
Rot. Bonds2

About 2-ethyl-4-methyl-6-(2-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

2-ethyl-4-methyl-6-(2-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (PubChem CID 4894620) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-ethyl-4-methyl-6-(2-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name2-ethyl-4-methyl-6-(2-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
PubChem CID4894620
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-ethyl-4-methyl-6-(2-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCCn1c(=O)c2c(nc3n2CCN3c2ccccc2C)n(C)c1=O
InChIInChI=1S/C17H19N5O2/c1-4-20-15(23)13-14(19(3)17(20)24)18-16-21(9-10-22(13)16)12-8-6-5-7-11(12)2/h5-8H,4,9-10H2,1-3H3
InChIKeyBEVXSUVLVFYJRS-UHFFFAOYSA-N
XLogP1.38
TPSA65.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-4-methyl-6-(2-methylphenyl)-7,8-dihydropurino[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

2-ethyl-6-(2-methoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 4890611
6-(2-ethoxyphenyl)-2-ethyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 6497223
6-(2,3-dimethylphenyl)-4-methyl-2-[(2-methylphenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 16812114
6-(2,3-dimethylphenyl)-4-methyl-2-(2-piperidin-1-ylethyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 16589950
6-(2,3-dimethylphenyl)-2-(2-ethoxyethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 16812121
2-benzyl-6-(2,5-dimethylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 16812128
6-(2,4-dimethylphenyl)-4-methyl-2-(2-phenylethyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 16626120
(7R)-3-(2-ethoxyethyl)-1,7-dimethyl-9-(2-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 51401632
6-(2,4-dimethylphenyl)-4-methyl-2-(3-methylbutyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 16626110
6-(2,5-dimethylphenyl)-4-methyl-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 16626058
6-(2,5-dimethylphenyl)-4-methyl-2-(2-methylprop-2-enyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 16589942
9-(2,3-dimethylphenyl)-1-methyl-3-(2-methylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 16812175

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-6-(2-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 2-ethyl-4-methyl-6-(2-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (CID 4894620) is 2-ethyl-4-methyl-6-(2-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 2-ethyl-4-methyl-6-(2-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 2-ethyl-4-methyl-6-(2-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is CCn1c(=O)c2c(nc3n2CCN3c2ccccc2C)n(C)c1=O.
What is the InChIKey of 2-ethyl-4-methyl-6-(2-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The InChIKey is BEVXSUVLVFYJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-4-20-15(23)13-14(19(3)17(20)24)18-16-21(9-10-22(13)16)12-8-6-5-7-11(12)2/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 2-ethyl-4-methyl-6-(2-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
2-ethyl-4-methyl-6-(2-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione has a molecular weight of 325.37 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-6-(2-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 4894620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).