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

C27H26N6 — CID 44523257

IUPAC6-N-(2,2-diphenylethyl)-2-N-(2-phenylethyl)-7H-purine-2,6-diamine
SMILESc1ccc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C27H26N6/c1-4-10-20(11-5-1)16-17-28-27-32-25(24-26(33-27)31-19-30-24)29-18-23(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,19,23H,16-18H2,(H3,28,29,30,31,32,33)
InChIKeyMRFVLZGSNSVTOW-UHFFFAOYSA-N
MW434.55 g/mol
LogP5.25
Rot. Bonds9

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

6-N-(2,2-diphenylethyl)-2-N-(2-phenylethyl)-7H-purine-2,6-diamine (PubChem CID 44523257) has the molecular formula C27H26N6 and a molecular weight of 434.55 g/mol. Its IUPAC name is 6-N-(2,2-diphenylethyl)-2-N-(2-phenylethyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2,2-diphenylethyl)-2-N-(2-phenylethyl)-7H-purine-2,6-diamine
PubChem CID44523257
Molecular FormulaC27H26N6
Molecular Weight434.55 g/mol
Exact Mass434.22
IUPAC Name6-N-(2,2-diphenylethyl)-2-N-(2-phenylethyl)-7H-purine-2,6-diamine
SMILESc1ccc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C27H26N6/c1-4-10-20(11-5-1)16-17-28-27-32-25(24-26(33-27)31-19-30-24)29-18-23(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,19,23H,16-18H2,(H3,28,29,30,31,32,33)
InChIKeyMRFVLZGSNSVTOW-UHFFFAOYSA-N
XLogP5.25
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.55
LogP ≤ 55.25
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-phenylethyl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(2,2-diphenylethyl)-2-N-(2-phenylethyl)-7H-purine-2,6-diamine (CID 44523257) is 6-N-(2,2-diphenylethyl)-2-N-(2-phenylethyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(2,2-diphenylethyl)-2-N-(2-phenylethyl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(2,2-diphenylethyl)-2-N-(2-phenylethyl)-7H-purine-2,6-diamine is c1ccc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3[nH]cnc3n2)cc1.
What is the InChIKey of 6-N-(2,2-diphenylethyl)-2-N-(2-phenylethyl)-7H-purine-2,6-diamine?
The InChIKey is MRFVLZGSNSVTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6/c1-4-10-20(11-5-1)16-17-28-27-32-25(24-26(33-27)31-19-30-24)29-18-23(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,19,23H,16-18H2,(H3,28,29,30,31,32,33).
What are the key properties of 6-N-(2,2-diphenylethyl)-2-N-(2-phenylethyl)-7H-purine-2,6-diamine?
6-N-(2,2-diphenylethyl)-2-N-(2-phenylethyl)-7H-purine-2,6-diamine has a molecular weight of 434.55 g/mol, XLogP of 5.25, 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-phenylethyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 44523257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).