6-[3-(dimethylamino)propyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione

C15H24N6O2 — CID 74476897

IUPAC6-[3-(dimethylamino)propyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCC1=C(C)N2C(=NC3C2C(=O)NC(=O)N3C)N1CCCN(C)C
InChIInChI=1S/C15H24N6O2/c1-9-10(2)21-11-12(19(5)15(23)17-13(11)22)16-14(21)20(9)8-6-7-18(3)4/h11-12H,6-8H2,1-5H3,(H,17,22,23)
InChIKeyVSTHKQVCBBQISK-UHFFFAOYSA-N
MW320.40 g/mol
LogP0.05
Rot. Bonds4

About 6-[3-(dimethylamino)propyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione

6-[3-(dimethylamino)propyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione (PubChem CID 74476897) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-[3-(dimethylamino)propyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
PubChem CID74476897
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name6-[3-(dimethylamino)propyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCC1=C(C)N2C(=NC3C2C(=O)NC(=O)N3C)N1CCCN(C)C
InChIInChI=1S/C15H24N6O2/c1-9-10(2)21-11-12(19(5)15(23)17-13(11)22)16-14(21)20(9)8-6-7-18(3)4/h11-12H,6-8H2,1-5H3,(H,17,22,23)
InChIKeyVSTHKQVCBBQISK-UHFFFAOYSA-N
XLogP0.05
TPSA71.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[3-(dimethylamino)propyl]-4,7,8-trimethyl-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

1-butyl-3-propyl-5,7-dihydro-4H-purine-2,6-dione
CID 44339609
1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione
CID 526707
3-propyl-5,7-dihydro-4H-purine-2,6-dione
CID 45272369
2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-methylacetamide
CID 59121523
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-[2-(diethylamino)ethyl]propanamide
CID 136436513
N-(2-acetamidoethyl)-3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)propanamide
CID 136445991
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-ethylpropanamide
CID 136477481
3-propan-2-yl-5,7-dihydro-4H-purine-2,6-dione
CID 137418846
1-tert-butyl-7-methyl-4,5-dihydro-3H-purine-2,6-dione
CID 139494799
8-amino-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione
CID 10467447
3-Methyl-7-propyl-4,5-dihydropurine-2,6-dione
CID 11521330
1,3-Dimethyl-8-piperazinyl-1,3,4,5-tetrahydropurine-2,6-dione
CID 16637311

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-[3-(dimethylamino)propyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione (CID 74476897) is 6-[3-(dimethylamino)propyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-[3-(dimethylamino)propyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-[3-(dimethylamino)propyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione is CC1=C(C)N2C(=NC3C2C(=O)NC(=O)N3C)N1CCCN(C)C.
What is the InChIKey of 6-[3-(dimethylamino)propyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The InChIKey is VSTHKQVCBBQISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-9-10(2)21-11-12(19(5)15(23)17-13(11)22)16-14(21)20(9)8-6-7-18(3)4/h11-12H,6-8H2,1-5H3,(H,17,22,23).
What are the key properties of 6-[3-(dimethylamino)propyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
6-[3-(dimethylamino)propyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione has a molecular weight of 320.40 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 74476897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).