9-decyl-6-(4-methylimidazol-1-yl)purine

C19H28N6 — CID 118709400

IUPAC9-decyl-6-(4-methylimidazol-1-yl)purine
SMILESCCCCCCCCCCn1cnc2c(-n3cnc(C)c3)ncnc21
InChIInChI=1S/C19H28N6/c1-3-4-5-6-7-8-9-10-11-24-15-23-17-18(24)20-13-21-19(17)25-12-16(2)22-14-25/h12-15H,3-11H2,1-2H3
InChIKeyPXUBRFUGPYEXRL-UHFFFAOYSA-N
MW340.48 g/mol
LogP4.46
Rot. Bonds10

About 9-decyl-6-(4-methylimidazol-1-yl)purine

9-decyl-6-(4-methylimidazol-1-yl)purine (PubChem CID 118709400) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 9-decyl-6-(4-methylimidazol-1-yl)purine.

Molecular Properties

Compound Name9-decyl-6-(4-methylimidazol-1-yl)purine
PubChem CID118709400
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name9-decyl-6-(4-methylimidazol-1-yl)purine
SMILESCCCCCCCCCCn1cnc2c(-n3cnc(C)c3)ncnc21
InChIInChI=1S/C19H28N6/c1-3-4-5-6-7-8-9-10-11-24-15-23-17-18(24)20-13-21-19(17)25-12-16(2)22-14-25/h12-15H,3-11H2,1-2H3
InChIKeyPXUBRFUGPYEXRL-UHFFFAOYSA-N
XLogP4.46
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ST-1535
CID 9860294
9-Methyl-2-pentyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 9814428
9-Octyl-6-(1,2,4-triazol-1-yl)purine
CID 118709413
9-Decyl-6-(1,2,4-triazol-1-yl)purine
CID 118709414
9-Decyl-6-imidazol-1-ylpurine
CID 118709425
9-Decyl-6-pyrazol-1-ylpurine
CID 118709433
2,7,8-Trimethyl-7H-purine
CID 10844724
9-Dodecyl-6-(1,2,4-triazol-1-yl)purine
CID 118709415
9-Tetradecyl-6-(1,2,4-triazol-1-yl)purine
CID 118709416
9-[3-(4-Ethylpiperazin-1-yl)propyl]purine
CID 155536050
N'-[6-[2-(1,3-dimethylimidazol-1-ium-4-yl)ethylamino]-3,7-dimethylpurin-3-ium-2-yl]-N,N-dimethylmethanimidamide
CID 177641880
6-N-[2-(1,3-dimethylimidazol-1-ium-4-yl)ethyl]-2-N,2-N,7,9-tetramethylpurin-9-ium-2,6-diamine
CID 177644172

Frequently Asked Questions

What is the IUPAC name of 9-decyl-6-(4-methylimidazol-1-yl)purine?
The IUPAC name of 9-decyl-6-(4-methylimidazol-1-yl)purine (CID 118709400) is 9-decyl-6-(4-methylimidazol-1-yl)purine.
What is the SMILES notation for 9-decyl-6-(4-methylimidazol-1-yl)purine?
The canonical SMILES for 9-decyl-6-(4-methylimidazol-1-yl)purine is CCCCCCCCCCn1cnc2c(-n3cnc(C)c3)ncnc21.
What is the InChIKey of 9-decyl-6-(4-methylimidazol-1-yl)purine?
The InChIKey is PXUBRFUGPYEXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-3-4-5-6-7-8-9-10-11-24-15-23-17-18(24)20-13-21-19(17)25-12-16(2)22-14-25/h12-15H,3-11H2,1-2H3.
What are the key properties of 9-decyl-6-(4-methylimidazol-1-yl)purine?
9-decyl-6-(4-methylimidazol-1-yl)purine has a molecular weight of 340.48 g/mol, XLogP of 4.46, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-decyl-6-(4-methylimidazol-1-yl)purine is sourced from PubChem (CID 118709400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).