1,8-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione

C11H18N4O2 — CID 59525151

IUPAC1,8-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione
SMILESCC1=NC2C(N1)C(=O)N(C)C(=O)N2CC(C)C
InChIInChI=1S/C11H18N4O2/c1-6(2)5-15-9-8(12-7(3)13-9)10(16)14(4)11(15)17/h6,8-9H,5H2,1-4H3,(H,12,13)
InChIKeyOYKOZQIZMWQOEH-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.25
Rot. Bonds2

About 1,8-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione

1,8-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione (PubChem CID 59525151) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1,8-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione.

Molecular Properties

Compound Name1,8-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione
PubChem CID59525151
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1,8-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione
SMILESCC1=NC2C(N1)C(=O)N(C)C(=O)N2CC(C)C
InChIInChI=1S/C11H18N4O2/c1-6(2)5-15-9-8(12-7(3)13-9)10(16)14(4)11(15)17/h6,8-9H,5H2,1-4H3,(H,12,13)
InChIKeyOYKOZQIZMWQOEH-UHFFFAOYSA-N
XLogP0.25
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,8-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione?
The IUPAC name of 1,8-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione (CID 59525151) is 1,8-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione.
What is the SMILES notation for 1,8-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione?
The canonical SMILES for 1,8-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione is CC1=NC2C(N1)C(=O)N(C)C(=O)N2CC(C)C.
What is the InChIKey of 1,8-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione?
The InChIKey is OYKOZQIZMWQOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-6(2)5-15-9-8(12-7(3)13-9)10(16)14(4)11(15)17/h6,8-9H,5H2,1-4H3,(H,12,13).
What are the key properties of 1,8-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione?
1,8-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione has a molecular weight of 238.29 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione is sourced from PubChem (CID 59525151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).