8-amino-3-butan-2-yl-1,7-dimethylpurine-2,6-dione

C11H17N5O2 — CID 82464848

IUPAC8-amino-3-butan-2-yl-1,7-dimethylpurine-2,6-dione
SMILESCCC(C)n1c(=O)n(C)c(=O)c2c1nc(N)n2C
InChIInChI=1S/C11H17N5O2/c1-5-6(2)16-8-7(14(3)10(12)13-8)9(17)15(4)11(16)18/h6H,5H2,1-4H3,(H2,12,13)
InChIKeyLTARKQHUTXOSFP-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.01
Rot. Bonds2

About 8-amino-3-butan-2-yl-1,7-dimethylpurine-2,6-dione

8-amino-3-butan-2-yl-1,7-dimethylpurine-2,6-dione (PubChem CID 82464848) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 8-amino-3-butan-2-yl-1,7-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name8-amino-3-butan-2-yl-1,7-dimethylpurine-2,6-dione
PubChem CID82464848
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name8-amino-3-butan-2-yl-1,7-dimethylpurine-2,6-dione
SMILESCCC(C)n1c(=O)n(C)c(=O)c2c1nc(N)n2C
InChIInChI=1S/C11H17N5O2/c1-5-6(2)16-8-7(14(3)10(12)13-8)9(17)15(4)11(16)18/h6H,5H2,1-4H3,(H2,12,13)
InChIKeyLTARKQHUTXOSFP-UHFFFAOYSA-N
XLogP-0.01
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-amino-3-butan-2-yl-1,7-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

3-butan-2-yl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione
CID 82464855
3-butan-2-yl-7-ethyl-1-methyl-2,6-dioxopurine-8-carboxylic acid
CID 82464889
1-(2-aminoethyl)-3-butan-2-yl-7-methyl-8-propan-2-ylpurine-2,6-dione
CID 82466394
8-amino-7-[(2R)-butan-2-yl]-3-methylpurine-2,6-dione
CID 776144
1-(2-aminoethyl)-3-butan-2-yl-8-cyclopropyl-7-methylpurine-2,6-dione
CID 82466396
1-(2-aminoethyl)-3-butan-2-yl-8-(methoxymethyl)-7-methylpurine-2,6-dione
CID 82466395
8-hydrazinyl-1,7-dimethyl-3-propan-2-ylpurine-2,6-dione
CID 82464557
7-benzyl-3-butan-2-yl-1-methylpurine-2,6-dione
CID 11544137
6-[(2S)-butan-2-yl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 92949327
2-(7-butan-2-yl-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl)propanoic acid
CID 10474792
3-butan-2-yl-1,7-diethyl-8-(ethylamino)purine-2,6-dione
CID 82464902
8-amino-1-ethyl-3-(3-methoxypropyl)-7-methylpurine-2,6-dione
CID 82465130

Frequently Asked Questions

What is the IUPAC name of 8-amino-3-butan-2-yl-1,7-dimethylpurine-2,6-dione?
The IUPAC name of 8-amino-3-butan-2-yl-1,7-dimethylpurine-2,6-dione (CID 82464848) is 8-amino-3-butan-2-yl-1,7-dimethylpurine-2,6-dione.
What is the SMILES notation for 8-amino-3-butan-2-yl-1,7-dimethylpurine-2,6-dione?
The canonical SMILES for 8-amino-3-butan-2-yl-1,7-dimethylpurine-2,6-dione is CCC(C)n1c(=O)n(C)c(=O)c2c1nc(N)n2C.
What is the InChIKey of 8-amino-3-butan-2-yl-1,7-dimethylpurine-2,6-dione?
The InChIKey is LTARKQHUTXOSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-5-6(2)16-8-7(14(3)10(12)13-8)9(17)15(4)11(16)18/h6H,5H2,1-4H3,(H2,12,13).
What are the key properties of 8-amino-3-butan-2-yl-1,7-dimethylpurine-2,6-dione?
8-amino-3-butan-2-yl-1,7-dimethylpurine-2,6-dione has a molecular weight of 251.29 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-butan-2-yl-1,7-dimethylpurine-2,6-dione is sourced from PubChem (CID 82464848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).