8-cyclopentyl-2,6-diphenyl-7H-purine

C22H20N4 — CID 11617054

IUPAC8-cyclopentyl-2,6-diphenyl-7H-purine
SMILESc1ccc(-c2nc(-c3ccccc3)c3[nH]c(C4CCCC4)nc3n2)cc1
InChIInChI=1S/C22H20N4/c1-3-9-15(10-4-1)18-19-22(26-21(24-19)17-13-7-8-14-17)25-20(23-18)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H,23,24,25,26)
InChIKeyNDJOQVVSPLVIDN-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.34
Rot. Bonds3

About 8-cyclopentyl-2,6-diphenyl-7H-purine

8-cyclopentyl-2,6-diphenyl-7H-purine (PubChem CID 11617054) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is 8-cyclopentyl-2,6-diphenyl-7H-purine.

Molecular Properties

Compound Name8-cyclopentyl-2,6-diphenyl-7H-purine
PubChem CID11617054
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC Name8-cyclopentyl-2,6-diphenyl-7H-purine
SMILESc1ccc(-c2nc(-c3ccccc3)c3[nH]c(C4CCCC4)nc3n2)cc1
InChIInChI=1S/C22H20N4/c1-3-9-15(10-4-1)18-19-22(26-21(24-19)17-13-7-8-14-17)25-20(23-18)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H,23,24,25,26)
InChIKeyNDJOQVVSPLVIDN-UHFFFAOYSA-N
XLogP5.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2,6-diphenyl-7H-purine?
The IUPAC name of 8-cyclopentyl-2,6-diphenyl-7H-purine (CID 11617054) is 8-cyclopentyl-2,6-diphenyl-7H-purine.
What is the SMILES notation for 8-cyclopentyl-2,6-diphenyl-7H-purine?
The canonical SMILES for 8-cyclopentyl-2,6-diphenyl-7H-purine is c1ccc(-c2nc(-c3ccccc3)c3[nH]c(C4CCCC4)nc3n2)cc1.
What is the InChIKey of 8-cyclopentyl-2,6-diphenyl-7H-purine?
The InChIKey is NDJOQVVSPLVIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4/c1-3-9-15(10-4-1)18-19-22(26-21(24-19)17-13-7-8-14-17)25-20(23-18)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H,23,24,25,26).
What are the key properties of 8-cyclopentyl-2,6-diphenyl-7H-purine?
8-cyclopentyl-2,6-diphenyl-7H-purine has a molecular weight of 340.43 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2,6-diphenyl-7H-purine is sourced from PubChem (CID 11617054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).