6-tetradecyl-7H-purine

C19H32N4 — CID 101215358

IUPAC6-tetradecyl-7H-purine
SMILESCCCCCCCCCCCCCCc1ncnc2nc[nH]c12
InChIInChI=1S/C19H32N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18-19(22-15-20-17)23-16-21-18/h15-16H,2-14H2,1H3,(H,20,21,22,23)
InChIKeyWMCFPORRIIYINE-UHFFFAOYSA-N
MW316.49 g/mol
LogP5.60
Rot. Bonds13

About 6-tetradecyl-7H-purine

6-tetradecyl-7H-purine (PubChem CID 101215358) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is 6-tetradecyl-7H-purine.

Molecular Properties

Compound Name6-tetradecyl-7H-purine
PubChem CID101215358
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC Name6-tetradecyl-7H-purine
SMILESCCCCCCCCCCCCCCc1ncnc2nc[nH]c12
InChIInChI=1S/C19H32N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18-19(22-15-20-17)23-16-21-18/h15-16H,2-14H2,1H3,(H,20,21,22,23)
InChIKeyWMCFPORRIIYINE-UHFFFAOYSA-N
XLogP5.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(7H-purin-6-yl)ethanol
CID 53402024
6-dodecylsulfanyl-7H-purine
CID 3778984
ethane;6-ethyl-7H-purine;molecular hydrogen
CID 143569207
6-[3-(4-fluorophenyl)propyl]-7H-purine
CID 158547626
4,5,6-tri(nonadecyl)pyrimidine
CID 91803097
4,5,6-trioctylpyrimidine
CID 91147699
4-heptyl-5-methyl-1H-imidazole
CID 89069470
4,5-dioctadecyl-1H-imidazole
CID 141093260
octadecanoic acid;7H-purin-6-amine
CID 141436047
N-methyl-2-(7H-purin-6-yl)acetonitrilium
CID 68737634
1-(7H-purin-6-yl)propan-2-ol
CID 174759958
N-butyl-7H-purin-6-amine;ethane
CID 154667457

Frequently Asked Questions

What is the IUPAC name of 6-tetradecyl-7H-purine?
The IUPAC name of 6-tetradecyl-7H-purine (CID 101215358) is 6-tetradecyl-7H-purine.
What is the SMILES notation for 6-tetradecyl-7H-purine?
The canonical SMILES for 6-tetradecyl-7H-purine is CCCCCCCCCCCCCCc1ncnc2nc[nH]c12.
What is the InChIKey of 6-tetradecyl-7H-purine?
The InChIKey is WMCFPORRIIYINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18-19(22-15-20-17)23-16-21-18/h15-16H,2-14H2,1H3,(H,20,21,22,23).
What are the key properties of 6-tetradecyl-7H-purine?
6-tetradecyl-7H-purine has a molecular weight of 316.49 g/mol, XLogP of 5.60, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tetradecyl-7H-purine is sourced from PubChem (CID 101215358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).