6-(2,4-dimethylphenyl)-4,7-dimethyl-2-(3-phenylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione

C26H25N5O2 — CID 71962384

IUPAC6-(2,4-dimethylphenyl)-4,7-dimethyl-2-(3-phenylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione
SMILESCc1ccc(-n2c(C)cn3c4c(=O)n(CC=Cc5ccccc5)c(=O)n(C)c4nc23)c(C)c1
InChIInChI=1S/C26H25N5O2/c1-17-12-13-21(18(2)15-17)31-19(3)16-30-22-23(27-25(30)31)28(4)26(33)29(24(22)32)14-8-11-20-9-6-5-7-10-20/h5-13,15-16H,14H2,1-4H3
InChIKeyDNCPYNRKKJYKFX-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.78
Rot. Bonds4

About 6-(2,4-dimethylphenyl)-4,7-dimethyl-2-(3-phenylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione

6-(2,4-dimethylphenyl)-4,7-dimethyl-2-(3-phenylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione (PubChem CID 71962384) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)-4,7-dimethyl-2-(3-phenylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)-4,7-dimethyl-2-(3-phenylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione
PubChem CID71962384
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name6-(2,4-dimethylphenyl)-4,7-dimethyl-2-(3-phenylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione
SMILESCc1ccc(-n2c(C)cn3c4c(=O)n(CC=Cc5ccccc5)c(=O)n(C)c4nc23)c(C)c1
InChIInChI=1S/C26H25N5O2/c1-17-12-13-21(18(2)15-17)31-19(3)16-30-22-23(27-25(30)31)28(4)26(33)29(24(22)32)14-8-11-20-9-6-5-7-10-20/h5-13,15-16H,14H2,1-4H3
InChIKeyDNCPYNRKKJYKFX-UHFFFAOYSA-N
XLogP3.78
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(2,4-dimethylphenyl)-4,7-dimethyl-2-(3-phenylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione with MolForge

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Related Compounds

4-[4,7-dimethyl-1,3-dioxo-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazol-6-yl]benzenesulfonamide
CID 16626473
6-cyclopentyl-4,7-dimethyl-2-[(E)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione
CID 6497196
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-(2,4-dimethylphenyl)-2-(2-methoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 16626618
2,4,7-trimethyl-6-[2-[(E)-3-phenylprop-2-enoxy]phenyl]purino[7,8-a]imidazole-1,3-dione
CID 41365689
6-(2,4-dimethylphenyl)-2-(2-ethoxyethyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 16626576
6-(2,5-dimethylphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 6484820
6-(2,5-dimethylphenyl)-4,7-dimethyl-2-pentylpurino[7,8-a]imidazole-1,3-dione
CID 7585725
6-(2-fluorophenyl)-4,7-dimethyl-2-[(4-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione
CID 7585735
6-(2-methoxyphenyl)-4,7-dimethyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione
CID 16797997
7-tert-butyl-4-methyl-2-[(E)-3-phenylprop-2-enyl]purino[8,7-b][1,3]oxazole-1,3-dione
CID 16810814
2-benzyl-6-(2,4-dimethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16811596

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)-4,7-dimethyl-2-(3-phenylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-(2,4-dimethylphenyl)-4,7-dimethyl-2-(3-phenylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione (CID 71962384) is 6-(2,4-dimethylphenyl)-4,7-dimethyl-2-(3-phenylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-(2,4-dimethylphenyl)-4,7-dimethyl-2-(3-phenylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-(2,4-dimethylphenyl)-4,7-dimethyl-2-(3-phenylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione is Cc1ccc(-n2c(C)cn3c4c(=O)n(CC=Cc5ccccc5)c(=O)n(C)c4nc23)c(C)c1.
What is the InChIKey of 6-(2,4-dimethylphenyl)-4,7-dimethyl-2-(3-phenylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione?
The InChIKey is DNCPYNRKKJYKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-17-12-13-21(18(2)15-17)31-19(3)16-30-22-23(27-25(30)31)28(4)26(33)29(24(22)32)14-8-11-20-9-6-5-7-10-20/h5-13,15-16H,14H2,1-4H3.
What are the key properties of 6-(2,4-dimethylphenyl)-4,7-dimethyl-2-(3-phenylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione?
6-(2,4-dimethylphenyl)-4,7-dimethyl-2-(3-phenylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione has a molecular weight of 439.52 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)-4,7-dimethyl-2-(3-phenylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 71962384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).