6-chloro-2-pentyl-7H-purine

C10H13ClN4 — CID 10978232

IUPAC6-chloro-2-pentyl-7H-purine
SMILESCCCCCc1nc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C10H13ClN4/c1-2-3-4-5-7-14-9(11)8-10(15-7)13-6-12-8/h6H,2-5H2,1H3,(H,12,13,14,15)
InChIKeyIPPHPUPXPWPEMR-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.74
Rot. Bonds4

About 6-chloro-2-pentyl-7H-purine

6-chloro-2-pentyl-7H-purine (PubChem CID 10978232) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is 6-chloro-2-pentyl-7H-purine.

Molecular Properties

Compound Name6-chloro-2-pentyl-7H-purine
PubChem CID10978232
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name6-chloro-2-pentyl-7H-purine
SMILESCCCCCc1nc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C10H13ClN4/c1-2-3-4-5-7-14-9(11)8-10(15-7)13-6-12-8/h6H,2-5H2,1H3,(H,12,13,14,15)
InChIKeyIPPHPUPXPWPEMR-UHFFFAOYSA-N
XLogP2.74
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.74
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-octyl-7H-purin-6-amine
CID 139890933
2,6-dichloro-7H-purine;tetrabutylazanium
CID 87468349
N-(6-chloro-7H-purin-2-yl)heptanamide
CID 114052494
2-chloro-6-pentylsulfanyl-7H-purine
CID 107751100
2,6-dichloro-7H-purine
CID 10750289
6-heptyl-1,7-dihydropurine-2-thione
CID 19689093
6-tetradecyl-7H-purine
CID 101215358
potassium;2,6-dichloro-7H-purine;hydride
CID 173320369
6-dodecylsulfanyl-7H-purine
CID 3778984
6-butyl-1,7-dihydropurine-2-thione
CID 21115589
6-chloro-7H-purine
CID 53349102
6-chloro-7H-purine
CID 5359277

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-pentyl-7H-purine?
The IUPAC name of 6-chloro-2-pentyl-7H-purine (CID 10978232) is 6-chloro-2-pentyl-7H-purine.
What is the SMILES notation for 6-chloro-2-pentyl-7H-purine?
The canonical SMILES for 6-chloro-2-pentyl-7H-purine is CCCCCc1nc(Cl)c2[nH]cnc2n1.
What is the InChIKey of 6-chloro-2-pentyl-7H-purine?
The InChIKey is IPPHPUPXPWPEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c1-2-3-4-5-7-14-9(11)8-10(15-7)13-6-12-8/h6H,2-5H2,1H3,(H,12,13,14,15).
What are the key properties of 6-chloro-2-pentyl-7H-purine?
6-chloro-2-pentyl-7H-purine has a molecular weight of 224.69 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-pentyl-7H-purine is sourced from PubChem (CID 10978232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).