8-amino-9-cyclohexyl-1,3-dimethylpurine-2,6-dione

C13H19N5O2 — CID 82463842

IUPAC8-amino-9-cyclohexyl-1,3-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2nc(N)n(C3CCCCC3)c2n(C)c1=O
InChIInChI=1S/C13H19N5O2/c1-16-10-9(11(19)17(2)13(16)20)15-12(14)18(10)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H2,14,15)
InChIKeyXPEVJYMLDXGIBV-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.52
Rot. Bonds1

About 8-amino-9-cyclohexyl-1,3-dimethylpurine-2,6-dione

8-amino-9-cyclohexyl-1,3-dimethylpurine-2,6-dione (PubChem CID 82463842) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 8-amino-9-cyclohexyl-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name8-amino-9-cyclohexyl-1,3-dimethylpurine-2,6-dione
PubChem CID82463842
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name8-amino-9-cyclohexyl-1,3-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2nc(N)n(C3CCCCC3)c2n(C)c1=O
InChIInChI=1S/C13H19N5O2/c1-16-10-9(11(19)17(2)13(16)20)15-12(14)18(10)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H2,14,15)
InChIKeyXPEVJYMLDXGIBV-UHFFFAOYSA-N
XLogP0.52
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-amino-9-cyclohexyl-1,3-dimethylpurine-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

Related Compounds

6-cyclohexyl-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79296775
7,8-dicyclohexyl-1,3-dimethylpurine-2,6-dione
CID 154715805
8-amino-9-butyl-1,3-dimethylpurine-2,6-dione
CID 82463788
8-(2-aminoethyl)-3-cyclohexyl-1,7-dimethylpurine-2,6-dione
CID 82465215
5-amino-4-cyclobutyl-2-methyl-1,2,4-triazol-3-one
CID 116659041
6-cyclopentyl-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79304996
3-(3-aminopropylamino)-8-cyclopentyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67308962
1-cyclononyl-3,5-di(cyclooctyl)-1,3,5-triazinane-2,4,6-trione
CID 148955013
3-cyclohexyl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione
CID 82465217
3-cyclohexyl-8-hydrazinyl-1-methyl-7H-purine-2,6-dione
CID 82465201
2-amino-1-cyclopentyl-7H-purin-6-one
CID 71283680
3-cycloheptyl-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288453

Frequently Asked Questions

What is the IUPAC name of 8-amino-9-cyclohexyl-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 8-amino-9-cyclohexyl-1,3-dimethylpurine-2,6-dione (CID 82463842) is 8-amino-9-cyclohexyl-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 8-amino-9-cyclohexyl-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 8-amino-9-cyclohexyl-1,3-dimethylpurine-2,6-dione is Cn1c(=O)c2nc(N)n(C3CCCCC3)c2n(C)c1=O.
What is the InChIKey of 8-amino-9-cyclohexyl-1,3-dimethylpurine-2,6-dione?
The InChIKey is XPEVJYMLDXGIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-16-10-9(11(19)17(2)13(16)20)15-12(14)18(10)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H2,14,15).
What are the key properties of 8-amino-9-cyclohexyl-1,3-dimethylpurine-2,6-dione?
8-amino-9-cyclohexyl-1,3-dimethylpurine-2,6-dione has a molecular weight of 277.33 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-9-cyclohexyl-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 82463842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).