7-pentadecylpurin-6-amine;hydrochloride

C20H36ClN5 — CID 67926278

IUPAC7-pentadecylpurin-6-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCn1cnc2ncnc(N)c21.Cl
InChIInChI=1S/C20H35N5.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-17-24-20-18(25)19(21)22-16-23-20;/h16-17H,2-15H2,1H3,(H2,21,22,23);1H
InChIKeyZGQHYCRUEYJMPH-UHFFFAOYSA-N
MW382.00 g/mol
LogP5.92
Rot. Bonds14

About 7-pentadecylpurin-6-amine;hydrochloride

7-pentadecylpurin-6-amine;hydrochloride (PubChem CID 67926278) has the molecular formula C20H36ClN5 and a molecular weight of 382.00 g/mol. Its IUPAC name is 7-pentadecylpurin-6-amine;hydrochloride.

Molecular Properties

Compound Name7-pentadecylpurin-6-amine;hydrochloride
PubChem CID67926278
Molecular FormulaC20H36ClN5
Molecular Weight382.00 g/mol
Exact Mass381.27
IUPAC Name7-pentadecylpurin-6-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCn1cnc2ncnc(N)c21.Cl
InChIInChI=1S/C20H35N5.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-17-24-20-18(25)19(21)22-16-23-20;/h16-17H,2-15H2,1H3,(H2,21,22,23);1H
InChIKeyZGQHYCRUEYJMPH-UHFFFAOYSA-N
XLogP5.92
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.00
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-pentadecylpurin-6-amine;hydrochloride?
The IUPAC name of 7-pentadecylpurin-6-amine;hydrochloride (CID 67926278) is 7-pentadecylpurin-6-amine;hydrochloride.
What is the SMILES notation for 7-pentadecylpurin-6-amine;hydrochloride?
The canonical SMILES for 7-pentadecylpurin-6-amine;hydrochloride is CCCCCCCCCCCCCCCn1cnc2ncnc(N)c21.Cl.
What is the InChIKey of 7-pentadecylpurin-6-amine;hydrochloride?
The InChIKey is ZGQHYCRUEYJMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-17-24-20-18(25)19(21)22-16-23-20;/h16-17H,2-15H2,1H3,(H2,21,22,23);1H.
What are the key properties of 7-pentadecylpurin-6-amine;hydrochloride?
7-pentadecylpurin-6-amine;hydrochloride has a molecular weight of 382.00 g/mol, XLogP of 5.92, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pentadecylpurin-6-amine;hydrochloride is sourced from PubChem (CID 67926278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).