4,7-dimethyl-6-(2-piperidin-1-ylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione

C16H24N6O2 — CID 73328896

IUPAC4,7-dimethyl-6-(2-piperidin-1-ylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCC1=CN2C(=NC3C2C(=O)NC(=O)N3C)N1CCN1CCCCC1
InChIInChI=1S/C16H24N6O2/c1-11-10-22-12-13(19(2)16(24)18-14(12)23)17-15(22)21(11)9-8-20-6-4-3-5-7-20/h10,12-13H,3-9H2,1-2H3,(H,18,23,24)
InChIKeyGXVVNVOMFNQEEA-UHFFFAOYSA-N
MW332.41 g/mol
LogP0.20
Rot. Bonds3

About 4,7-dimethyl-6-(2-piperidin-1-ylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione

4,7-dimethyl-6-(2-piperidin-1-ylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione (PubChem CID 73328896) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 4,7-dimethyl-6-(2-piperidin-1-ylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name4,7-dimethyl-6-(2-piperidin-1-ylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
PubChem CID73328896
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name4,7-dimethyl-6-(2-piperidin-1-ylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCC1=CN2C(=NC3C2C(=O)NC(=O)N3C)N1CCN1CCCCC1
InChIInChI=1S/C16H24N6O2/c1-11-10-22-12-13(19(2)16(24)18-14(12)23)17-15(22)21(11)9-8-20-6-4-3-5-7-20/h10,12-13H,3-9H2,1-2H3,(H,18,23,24)
InChIKeyGXVVNVOMFNQEEA-UHFFFAOYSA-N
XLogP0.20
TPSA71.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4,7-dimethyl-6-(2-piperidin-1-ylethyl)-4a,9a-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-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 53237793
4,6,7-Trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73165284
4,7-Dimethyl-6-(2-methylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73256962
4,7,8-Trimethyl-6-(3-piperidin-1-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73258412
6-[3-(Azepan-1-yl)propyl]-4,7-dimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73259112
4,7-Dimethyl-6-(3-piperidin-1-ylpropyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73259127
4,7-Dimethyl-6-[2-(4-methylpiperazin-1-yl)ethyl]-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73259411
1-[3-(4,7,8-Trimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)propyl]piperidine-4-carboxamide
CID 73259524
1-[3-(4,7-Dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)propyl]piperidine-4-carboxamide
CID 73259540
6-[3-(Azepan-1-yl)propyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73259686
1-[2-(4,7-Dimethyl-1,3-dioxo-4a,9a-dihydropurino[7,8-a]imidazol-6-yl)ethyl]piperidine-4-carboxamide
CID 73259700
6-Butyl-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73280924

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-6-(2-piperidin-1-ylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 4,7-dimethyl-6-(2-piperidin-1-ylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione (CID 73328896) is 4,7-dimethyl-6-(2-piperidin-1-ylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 4,7-dimethyl-6-(2-piperidin-1-ylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 4,7-dimethyl-6-(2-piperidin-1-ylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione is CC1=CN2C(=NC3C2C(=O)NC(=O)N3C)N1CCN1CCCCC1.
What is the InChIKey of 4,7-dimethyl-6-(2-piperidin-1-ylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The InChIKey is GXVVNVOMFNQEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-11-10-22-12-13(19(2)16(24)18-14(12)23)17-15(22)21(11)9-8-20-6-4-3-5-7-20/h10,12-13H,3-9H2,1-2H3,(H,18,23,24).
What are the key properties of 4,7-dimethyl-6-(2-piperidin-1-ylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
4,7-dimethyl-6-(2-piperidin-1-ylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione has a molecular weight of 332.41 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-6-(2-piperidin-1-ylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 73328896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).