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

C14H19N5O3 — CID 74680115

IUPAC4,7-dimethyl-6-(oxolan-2-ylmethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCC1=CN2C(=NC3C2C(=O)NC(=O)N3C)N1CC1CCCO1
InChIInChI=1S/C14H19N5O3/c1-8-6-19-10-11(17(2)14(21)16-12(10)20)15-13(19)18(8)7-9-4-3-5-22-9/h6,9-11H,3-5,7H2,1-2H3,(H,16,20,21)
InChIKeyGNNOAKFNPMHISU-UHFFFAOYSA-N
MW305.34 g/mol
LogP-0.11
Rot. Bonds2

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

4,7-dimethyl-6-(oxolan-2-ylmethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione (PubChem CID 74680115) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 4,7-dimethyl-6-(oxolan-2-ylmethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name4,7-dimethyl-6-(oxolan-2-ylmethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
PubChem CID74680115
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name4,7-dimethyl-6-(oxolan-2-ylmethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCC1=CN2C(=NC3C2C(=O)NC(=O)N3C)N1CC1CCCO1
InChIInChI=1S/C14H19N5O3/c1-8-6-19-10-11(17(2)14(21)16-12(10)20)15-13(19)18(8)7-9-4-3-5-22-9/h6,9-11H,3-5,7H2,1-2H3,(H,16,20,21)
InChIKeyGNNOAKFNPMHISU-UHFFFAOYSA-N
XLogP-0.11
TPSA77.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4,7-dimethyl-6-(oxolan-2-ylmethyl)-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

6-[2-(2,6-Dimethylmorpholin-4-yl)ethyl]-4,7-dimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73329112
4,7,8-Trimethyl-6-(oxolan-2-ylmethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 74680187
4,7-Dimethyl-6-(2-morpholin-4-ylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 78368248
6-(2-Methoxyethyl)-4,7-dimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 78369537

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-6-(oxolan-2-ylmethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 4,7-dimethyl-6-(oxolan-2-ylmethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione (CID 74680115) is 4,7-dimethyl-6-(oxolan-2-ylmethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 4,7-dimethyl-6-(oxolan-2-ylmethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 4,7-dimethyl-6-(oxolan-2-ylmethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione is CC1=CN2C(=NC3C2C(=O)NC(=O)N3C)N1CC1CCCO1.
What is the InChIKey of 4,7-dimethyl-6-(oxolan-2-ylmethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The InChIKey is GNNOAKFNPMHISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-8-6-19-10-11(17(2)14(21)16-12(10)20)15-13(19)18(8)7-9-4-3-5-22-9/h6,9-11H,3-5,7H2,1-2H3,(H,16,20,21).
What are the key properties of 4,7-dimethyl-6-(oxolan-2-ylmethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
4,7-dimethyl-6-(oxolan-2-ylmethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione has a molecular weight of 305.34 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-6-(oxolan-2-ylmethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 74680115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).