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

C20H18N4 — CID 11565892

IUPAC2,6-diphenyl-8-propyl-7H-purine
SMILESCCCc1nc2nc(-c3ccccc3)nc(-c3ccccc3)c2[nH]1
InChIInChI=1S/C20H18N4/c1-2-9-16-21-18-17(14-10-5-3-6-11-14)23-19(24-20(18)22-16)15-12-7-4-8-13-15/h3-8,10-13H,2,9H2,1H3,(H,21,22,23,24)
InChIKeyLIJDFWULFIYULY-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.64
Rot. Bonds4

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

2,6-diphenyl-8-propyl-7H-purine (PubChem CID 11565892) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2,6-diphenyl-8-propyl-7H-purine.

Molecular Properties

Compound Name2,6-diphenyl-8-propyl-7H-purine
PubChem CID11565892
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name2,6-diphenyl-8-propyl-7H-purine
SMILESCCCc1nc2nc(-c3ccccc3)nc(-c3ccccc3)c2[nH]1
InChIInChI=1S/C20H18N4/c1-2-9-16-21-18-17(14-10-5-3-6-11-14)23-19(24-20(18)22-16)15-12-7-4-8-13-15/h3-8,10-13H,2,9H2,1H3,(H,21,22,23,24)
InChIKeyLIJDFWULFIYULY-UHFFFAOYSA-N
XLogP4.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-8-propyl-7H-purine?
The IUPAC name of 2,6-diphenyl-8-propyl-7H-purine (CID 11565892) is 2,6-diphenyl-8-propyl-7H-purine.
What is the SMILES notation for 2,6-diphenyl-8-propyl-7H-purine?
The canonical SMILES for 2,6-diphenyl-8-propyl-7H-purine is CCCc1nc2nc(-c3ccccc3)nc(-c3ccccc3)c2[nH]1.
What is the InChIKey of 2,6-diphenyl-8-propyl-7H-purine?
The InChIKey is LIJDFWULFIYULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-2-9-16-21-18-17(14-10-5-3-6-11-14)23-19(24-20(18)22-16)15-12-7-4-8-13-15/h3-8,10-13H,2,9H2,1H3,(H,21,22,23,24).
What are the key properties of 2,6-diphenyl-8-propyl-7H-purine?
2,6-diphenyl-8-propyl-7H-purine has a molecular weight of 314.39 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-8-propyl-7H-purine is sourced from PubChem (CID 11565892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).