2,6-diphenyl-8-propan-2-yl-7H-purine

C20H18N4 — CID 11536936

IUPAC2,6-diphenyl-8-propan-2-yl-7H-purine
SMILESCC(C)c1nc2nc(-c3ccccc3)nc(-c3ccccc3)c2[nH]1
InChIInChI=1S/C20H18N4/c1-13(2)18-22-17-16(14-9-5-3-6-10-14)21-19(24-20(17)23-18)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,21,22,23,24)
InChIKeyWOKKQPCDRVUEPM-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.81
Rot. Bonds3

About 2,6-diphenyl-8-propan-2-yl-7H-purine

2,6-diphenyl-8-propan-2-yl-7H-purine (PubChem CID 11536936) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2,6-diphenyl-8-propan-2-yl-7H-purine.

Molecular Properties

Compound Name2,6-diphenyl-8-propan-2-yl-7H-purine
PubChem CID11536936
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name2,6-diphenyl-8-propan-2-yl-7H-purine
SMILESCC(C)c1nc2nc(-c3ccccc3)nc(-c3ccccc3)c2[nH]1
InChIInChI=1S/C20H18N4/c1-13(2)18-22-17-16(14-9-5-3-6-10-14)21-19(24-20(17)23-18)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,21,22,23,24)
InChIKeyWOKKQPCDRVUEPM-UHFFFAOYSA-N
XLogP4.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.81
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-propan-2-yl-7H-purine?
The IUPAC name of 2,6-diphenyl-8-propan-2-yl-7H-purine (CID 11536936) is 2,6-diphenyl-8-propan-2-yl-7H-purine.
What is the SMILES notation for 2,6-diphenyl-8-propan-2-yl-7H-purine?
The canonical SMILES for 2,6-diphenyl-8-propan-2-yl-7H-purine is CC(C)c1nc2nc(-c3ccccc3)nc(-c3ccccc3)c2[nH]1.
What is the InChIKey of 2,6-diphenyl-8-propan-2-yl-7H-purine?
The InChIKey is WOKKQPCDRVUEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-13(2)18-22-17-16(14-9-5-3-6-10-14)21-19(24-20(17)23-18)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,21,22,23,24).
What are the key properties of 2,6-diphenyl-8-propan-2-yl-7H-purine?
2,6-diphenyl-8-propan-2-yl-7H-purine has a molecular weight of 314.39 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-8-propan-2-yl-7H-purine is sourced from PubChem (CID 11536936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).