6-N-(2,2-diphenylethyl)-2-N-(2-phenylpropyl)-7H-purine-2,6-diamine

C28H28N6 — CID 44523258

IUPAC6-N-(2,2-diphenylethyl)-2-N-(2-phenylpropyl)-7H-purine-2,6-diamine
SMILESCC(CNc1nc(NCC(c2ccccc2)c2ccccc2)c2[nH]cnc2n1)c1ccccc1
InChIInChI=1S/C28H28N6/c1-20(21-11-5-2-6-12-21)17-30-28-33-26(25-27(34-28)32-19-31-25)29-18-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,19-20,24H,17-18H2,1H3,(H3,29,30,31,32,33,34)
InChIKeyRALANTYGYNSJLN-UHFFFAOYSA-N
MW448.57 g/mol
LogP5.81
Rot. Bonds9

About 6-N-(2,2-diphenylethyl)-2-N-(2-phenylpropyl)-7H-purine-2,6-diamine

6-N-(2,2-diphenylethyl)-2-N-(2-phenylpropyl)-7H-purine-2,6-diamine (PubChem CID 44523258) has the molecular formula C28H28N6 and a molecular weight of 448.57 g/mol. Its IUPAC name is 6-N-(2,2-diphenylethyl)-2-N-(2-phenylpropyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2,2-diphenylethyl)-2-N-(2-phenylpropyl)-7H-purine-2,6-diamine
PubChem CID44523258
Molecular FormulaC28H28N6
Molecular Weight448.57 g/mol
Exact Mass448.24
IUPAC Name6-N-(2,2-diphenylethyl)-2-N-(2-phenylpropyl)-7H-purine-2,6-diamine
SMILESCC(CNc1nc(NCC(c2ccccc2)c2ccccc2)c2[nH]cnc2n1)c1ccccc1
InChIInChI=1S/C28H28N6/c1-20(21-11-5-2-6-12-21)17-30-28-33-26(25-27(34-28)32-19-31-25)29-18-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,19-20,24H,17-18H2,1H3,(H3,29,30,31,32,33,34)
InChIKeyRALANTYGYNSJLN-UHFFFAOYSA-N
XLogP5.81
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2,2-diphenylethyl)-2-N-(2-phenylpropyl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(2,2-diphenylethyl)-2-N-(2-phenylpropyl)-7H-purine-2,6-diamine (CID 44523258) is 6-N-(2,2-diphenylethyl)-2-N-(2-phenylpropyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(2,2-diphenylethyl)-2-N-(2-phenylpropyl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(2,2-diphenylethyl)-2-N-(2-phenylpropyl)-7H-purine-2,6-diamine is CC(CNc1nc(NCC(c2ccccc2)c2ccccc2)c2[nH]cnc2n1)c1ccccc1.
What is the InChIKey of 6-N-(2,2-diphenylethyl)-2-N-(2-phenylpropyl)-7H-purine-2,6-diamine?
The InChIKey is RALANTYGYNSJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6/c1-20(21-11-5-2-6-12-21)17-30-28-33-26(25-27(34-28)32-19-31-25)29-18-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,19-20,24H,17-18H2,1H3,(H3,29,30,31,32,33,34).
What are the key properties of 6-N-(2,2-diphenylethyl)-2-N-(2-phenylpropyl)-7H-purine-2,6-diamine?
6-N-(2,2-diphenylethyl)-2-N-(2-phenylpropyl)-7H-purine-2,6-diamine has a molecular weight of 448.57 g/mol, XLogP of 5.81, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,2-diphenylethyl)-2-N-(2-phenylpropyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 44523258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).