8-(3-aminopropylamino)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione

C14H24N6O2 — CID 82463911

IUPAC8-(3-aminopropylamino)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione
SMILESCC(C)Cn1c(NCCCN)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C14H24N6O2/c1-9(2)8-20-10-11(17-13(20)16-7-5-6-15)18(3)14(22)19(4)12(10)21/h9H,5-8,15H2,1-4H3,(H,16,17)
InChIKeyYWZARGMEFJJVLW-UHFFFAOYSA-N
MW308.39 g/mol
LogP-0.15
Rot. Bonds6

About 8-(3-aminopropylamino)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione

8-(3-aminopropylamino)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione (PubChem CID 82463911) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 8-(3-aminopropylamino)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione.

Molecular Properties

Compound Name8-(3-aminopropylamino)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione
PubChem CID82463911
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC Name8-(3-aminopropylamino)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione
SMILESCC(C)Cn1c(NCCCN)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C14H24N6O2/c1-9(2)8-20-10-11(17-13(20)16-7-5-6-15)18(3)14(22)19(4)12(10)21/h9H,5-8,15H2,1-4H3,(H,16,17)
InChIKeyYWZARGMEFJJVLW-UHFFFAOYSA-N
XLogP-0.15
TPSA99.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-(3-aminopropylamino)-1,3-dimethyl-7-(2-methylpropyl)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

Related Compounds

1,3-dimethyl-7-(2-methylpropyl)-8-(propylamino)purine-2,6-dione
CID 16802673
8-(2-aminoethylamino)-7-butyl-1,3-dimethylpurine-2,6-dione
CID 82463924
7-[(2S)-2-chloropropyl]-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione
CID 7164723
7-(2,3-dihydroxypropyl)-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione
CID 3066707
7-[(2S)-2,3-dihydroxypropyl]-1,3-dimethyl-8-(propylamino)purine-2,6-dione
CID 42476761
7-(2-aminoethyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
CID 12506348
8-(butylamino)-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
CID 3657906
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(pentylamino)purine-2,6-dione
CID 3747505
8-(butylamino)-7-[(2S)-3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
CID 41475936
2-[(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)amino]ethyl-dimethylazanium
CID 3620443
7-[(2S)-2-hydroxy-3-phenoxypropyl]-8-(3-hydroxypropylamino)-1,3-dimethylpurine-2,6-dione
CID 7025426
7-(2,3-dihydroxypropyl)-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
CID 3144866

Frequently Asked Questions

What is the IUPAC name of 8-(3-aminopropylamino)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione?
The IUPAC name of 8-(3-aminopropylamino)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione (CID 82463911) is 8-(3-aminopropylamino)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione.
What is the SMILES notation for 8-(3-aminopropylamino)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione?
The canonical SMILES for 8-(3-aminopropylamino)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione is CC(C)Cn1c(NCCCN)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 8-(3-aminopropylamino)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione?
The InChIKey is YWZARGMEFJJVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2/c1-9(2)8-20-10-11(17-13(20)16-7-5-6-15)18(3)14(22)19(4)12(10)21/h9H,5-8,15H2,1-4H3,(H,16,17).
What are the key properties of 8-(3-aminopropylamino)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione?
8-(3-aminopropylamino)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione has a molecular weight of 308.39 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminopropylamino)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione is sourced from PubChem (CID 82463911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).