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

C18H19N5O2 — CID 5058455

IUPAC4-methyl-6-(3-methylphenyl)-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESC=CCn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2)n(C)c1=O
InChIInChI=1S/C18H19N5O2/c1-4-8-23-16(24)14-15(20(3)18(23)25)19-17-21(9-10-22(14)17)13-7-5-6-12(2)11-13/h4-7,11H,1,8-10H2,2-3H3
InChIKeyDXYRZPXJVWCXRE-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.54
Rot. Bonds3

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

4-methyl-6-(3-methylphenyl)-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (PubChem CID 5058455) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-methyl-6-(3-methylphenyl)-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name4-methyl-6-(3-methylphenyl)-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
PubChem CID5058455
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name4-methyl-6-(3-methylphenyl)-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESC=CCn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2)n(C)c1=O
InChIInChI=1S/C18H19N5O2/c1-4-8-23-16(24)14-15(20(3)18(23)25)19-17-21(9-10-22(14)17)13-7-5-6-12(2)11-13/h4-7,11H,1,8-10H2,2-3H3
InChIKeyDXYRZPXJVWCXRE-UHFFFAOYSA-N
XLogP1.54
TPSA65.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-methyl-6-(3-methylphenyl)-2-prop-2-enyl-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

6-(3-chloro-4-methylphenyl)-4-methyl-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 16589917
9-(3-chlorophenyl)-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 3162508
6-(2-methoxy-5-methylphenyl)-4-methyl-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 6497164
9-(3-chlorophenyl)-1,7-dimethyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 3162542
(7R)-1,7-dimethyl-9-(3-methylphenyl)-3-(2-methylprop-2-enyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 7523567
(7R)-3-ethyl-1,7-dimethyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 51528515
6-(4-bromophenyl)-4-methyl-2-[(3-methylphenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 22549991
4-methyl-6-phenyl-2-[(E)-3-phenylprop-2-enyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 6228817
9-(3-chloro-4-methoxyphenyl)-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 6497132
1-methyl-3-[(3-methylphenyl)methyl]-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 5207492
9-(3-chlorophenyl)-1-methyl-3-[(3-methylphenyl)methyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 16623996
6-(3-chlorophenyl)-2-(2-methoxyethyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 4885896

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(3-methylphenyl)-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 4-methyl-6-(3-methylphenyl)-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (CID 5058455) is 4-methyl-6-(3-methylphenyl)-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 4-methyl-6-(3-methylphenyl)-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 4-methyl-6-(3-methylphenyl)-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is C=CCn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2)n(C)c1=O.
What is the InChIKey of 4-methyl-6-(3-methylphenyl)-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The InChIKey is DXYRZPXJVWCXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-4-8-23-16(24)14-15(20(3)18(23)25)19-17-21(9-10-22(14)17)13-7-5-6-12(2)11-13/h4-7,11H,1,8-10H2,2-3H3.
What are the key properties of 4-methyl-6-(3-methylphenyl)-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
4-methyl-6-(3-methylphenyl)-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione has a molecular weight of 337.38 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(3-methylphenyl)-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 5058455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).