6-N-tert-butyl-8-ethyl-2-N-[2-(2-morpholin-4-ylethoxy)quinolin-6-yl]-7H-purine-2,6-diamine

C26H34N8O2 — CID 155186508

IUPAC6-N-tert-butyl-8-ethyl-2-N-[2-(2-morpholin-4-ylethoxy)quinolin-6-yl]-7H-purine-2,6-diamine
SMILESCCc1nc2nc(Nc3ccc4nc(OCCN5CCOCC5)ccc4c3)nc(NC(C)(C)C)c2[nH]1
InChIInChI=1S/C26H34N8O2/c1-5-20-29-22-23(30-20)31-25(32-24(22)33-26(2,3)4)27-18-7-8-19-17(16-18)6-9-21(28-19)36-15-12-34-10-13-35-14-11-34/h6-9,16H,5,10-15H2,1-4H3,(H3,27,29,30,31,32,33)
InChIKeyQMZCNRRABVLQGX-UHFFFAOYSA-N
MW490.61 g/mol
LogP4.13
Rot. Bonds8

About 6-N-tert-butyl-8-ethyl-2-N-[2-(2-morpholin-4-ylethoxy)quinolin-6-yl]-7H-purine-2,6-diamine

6-N-tert-butyl-8-ethyl-2-N-[2-(2-morpholin-4-ylethoxy)quinolin-6-yl]-7H-purine-2,6-diamine (PubChem CID 155186508) has the molecular formula C26H34N8O2 and a molecular weight of 490.61 g/mol. Its IUPAC name is 6-N-tert-butyl-8-ethyl-2-N-[2-(2-morpholin-4-ylethoxy)quinolin-6-yl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-tert-butyl-8-ethyl-2-N-[2-(2-morpholin-4-ylethoxy)quinolin-6-yl]-7H-purine-2,6-diamine
PubChem CID155186508
Molecular FormulaC26H34N8O2
Molecular Weight490.61 g/mol
Exact Mass490.28
IUPAC Name6-N-tert-butyl-8-ethyl-2-N-[2-(2-morpholin-4-ylethoxy)quinolin-6-yl]-7H-purine-2,6-diamine
SMILESCCc1nc2nc(Nc3ccc4nc(OCCN5CCOCC5)ccc4c3)nc(NC(C)(C)C)c2[nH]1
InChIInChI=1S/C26H34N8O2/c1-5-20-29-22-23(30-20)31-25(32-24(22)33-26(2,3)4)27-18-7-8-19-17(16-18)6-9-21(28-19)36-15-12-34-10-13-35-14-11-34/h6-9,16H,5,10-15H2,1-4H3,(H3,27,29,30,31,32,33)
InChIKeyQMZCNRRABVLQGX-UHFFFAOYSA-N
XLogP4.13
TPSA113.11 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-N-tert-butyl-8-ethyl-2-N-[2-(2-morpholin-4-ylethoxy)quinolin-6-yl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-tert-butyl-8-ethyl-2-N-[2-(2-morpholin-4-ylethoxy)quinolin-6-yl]-7H-purine-2,6-diamine (CID 155186508) is 6-N-tert-butyl-8-ethyl-2-N-[2-(2-morpholin-4-ylethoxy)quinolin-6-yl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-tert-butyl-8-ethyl-2-N-[2-(2-morpholin-4-ylethoxy)quinolin-6-yl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-tert-butyl-8-ethyl-2-N-[2-(2-morpholin-4-ylethoxy)quinolin-6-yl]-7H-purine-2,6-diamine is CCc1nc2nc(Nc3ccc4nc(OCCN5CCOCC5)ccc4c3)nc(NC(C)(C)C)c2[nH]1.
What is the InChIKey of 6-N-tert-butyl-8-ethyl-2-N-[2-(2-morpholin-4-ylethoxy)quinolin-6-yl]-7H-purine-2,6-diamine?
The InChIKey is QMZCNRRABVLQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O2/c1-5-20-29-22-23(30-20)31-25(32-24(22)33-26(2,3)4)27-18-7-8-19-17(16-18)6-9-21(28-19)36-15-12-34-10-13-35-14-11-34/h6-9,16H,5,10-15H2,1-4H3,(H3,27,29,30,31,32,33).
What are the key properties of 6-N-tert-butyl-8-ethyl-2-N-[2-(2-morpholin-4-ylethoxy)quinolin-6-yl]-7H-purine-2,6-diamine?
6-N-tert-butyl-8-ethyl-2-N-[2-(2-morpholin-4-ylethoxy)quinolin-6-yl]-7H-purine-2,6-diamine has a molecular weight of 490.61 g/mol, XLogP of 4.13, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-tert-butyl-8-ethyl-2-N-[2-(2-morpholin-4-ylethoxy)quinolin-6-yl]-7H-purine-2,6-diamine is sourced from PubChem (CID 155186508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).