3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine

Details

• Internal ID: 0747591f-4e08-414f-9515-8ec0fcc6f370
• Taxonomy: Organoheterocyclic compounds > Imidazopyrimidines > Purines and purine derivatives
• IUPAC Name: 3-(3-methylbut-2-enyl)-7H-purin-6-imine
• InChI: InChI=1S/C10H13N5/c1-7(2)3-4-15-6-14-9(11)8-10(15)13-5-12-8/h3,5-6,11H,4H2,1-2H3,(H,12,13)
• InChI Key: DEAOYWWBDXWSOD-UHFFFAOYSA-N
• Popularity: 8 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₃N₅
• Molecular Weight: 203.24 g/mol
• Exact Mass: 203.11709544 g/mol
• Topological Polar Surface Area (TPSA): 68.10 Ų
• XlogP: 1.30

Synonyms

• 10091-84-6
• Oprea1_038329
• 3-(3-Methyl-2-butenyl)-3H-purin-6-amine
• 3-(3-methylbut-2-enyl)-7H-purin-6-imine
• AC1Q1NVV
• 3-(3-methylbut-2-enyl)purin-6-amine
• Triacanthin
• ZINC00002209
• SureCN11076308
• 6-amino-3-dimethylallylpurine
• Bio-0238
• CHEBI:9658
• dihydro-2H-purin-6-amine, 5
• MEGxp0_001772
• SCHEMBL11076308
• ACon1_002114
• BDBM32651
• DTXSID90905838
• CHEBI:182162
• HMS3604O15
• AKOS015969702
• DB08074
• NCGC00179816-01
• PD004812
• CS-0264802
• C08435
• 3-(3-Methyl-2-buten-1-yl)-3H-purin-6-amine
• EN300-9461299
• BRD-K06264992-001-01-9
• Q27097305
• Z1509383707
• NCGC00179816-02!3-(3-methylbut-2-enyl)purin-6-amine

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.26%	96.09%
CHEMBL2581	P07339	Cathepsin D	91.25%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	89.65%	94.73%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	89.27%	85.14%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.14%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.96%	86.33%
CHEMBL4208	P20618	Proteasome component C5	82.89%	90.00%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	81.53%	85.30%
CHEMBL3038469	P24941	CDK2/Cyclin A	80.30%	91.38%

Plants that contains it

• Gleditsia triacanthos

Cross-Links

• PubChem: 135438588
• LOTUS: LTS0210647
• wikiData: Q104250302