6-(4-tert-butylphenoxy)-7H-purine;3-chloro-N-(7H-purin-6-yl)benzamide;6-(2-ethylhexoxy)-7H-purine;6-(2-methylbutoxy)-7H-purine;6-(naphthalen-2-ylmethoxy)-7H-purine;6-phenoxy-7H-purine;4-(7H-purin-6-yloxymethyl)phenol

C89H88ClN29O8 — CID 159248393

IUPAC6-(4-tert-butylphenoxy)-7H-purine;3-chloro-N-(7H-purin-6-yl)benzamide;6-(2-ethylhexoxy)-7H-purine;6-(2-methylbutoxy)-7H-purine;6-(naphthalen-2-ylmethoxy)-7H-purine;6-phenoxy-7H-purine;4-(7H-purin-6-yloxymethyl)phenol
SMILESCC(C)(C)c1ccc(Oc2ncnc3nc[nH]c23)cc1.CCC(C)COc1ncnc2nc[nH]c12.CCCCC(CC)COc1ncnc2nc[nH]c12.O=C(Nc1ncnc2nc[nH]c12)c1cccc(Cl)c1.Oc1ccc(COc2ncnc3nc[nH]c23)cc1.c1ccc(Oc2ncnc3nc[nH]c23)cc1.c1ccc2cc(COc3ncnc4nc[nH]c34)ccc2c1
InChIInChI=1S/C16H12N4O.C15H16N4O.C13H20N4O.C12H8ClN5O.C12H10N4O2.C11H8N4O.C10H14N4O/c1-2-4-13-7-11(5-6-12(13)3-1)8-21-16-14-15(18-9-17-14)19-10-20-16;1-15(2,3)10-4-6-11(7-5-10)20-14-12-13(17-8-16-12)18-9-19-14;1-3-5-6-10(4-2)7-18-13-11-12(15-8-14-11)16-9-17-13;13-8-3-1-2-7(4-8)12(19)18-11-9-10(15-5-14-9)16-6-17-11;17-9-3-1-8(2-4-9)5-18-12-10-11(14-6-13-10)15-7-16-12;1-2-4-8(5-3-1)16-11-9-10(13-6-12-9)14-7-15-11;1-3-7(2)4-15-10-8-9(12-5-11-8)13-6-14-10/h1-7,9-10H,8H2,(H,17,18,19,20);4-9H,1-3H3,(H,16,17,18,19);8-10H,3-7H2,1-2H3,(H,14,15,16,17);1-6H,(H2,14,15,16,17,18,19);1-4,6-7,17H,5H2,(H,13,14,15,16);1-7H,(H,12,13,14,15);5-7H,3-4H2,1-2H3,(H,11,12,13,14)
InChIKeyKUYWHIBDZJRNDN-UHFFFAOYSA-N
MW1727.33 g/mol
LogP17.30
Rot. Bonds23

About 6-(4-tert-butylphenoxy)-7H-purine;3-chloro-N-(7H-purin-6-yl)benzamide;6-(2-ethylhexoxy)-7H-purine;6-(2-methylbutoxy)-7H-purine;6-(naphthalen-2-ylmethoxy)-7H-purine;6-phenoxy-7H-purine;4-(7H-purin-6-yloxymethyl)phenol

6-(4-tert-butylphenoxy)-7H-purine;3-chloro-N-(7H-purin-6-yl)benzamide;6-(2-ethylhexoxy)-7H-purine;6-(2-methylbutoxy)-7H-purine;6-(naphthalen-2-ylmethoxy)-7H-purine;6-phenoxy-7H-purine;4-(7H-purin-6-yloxymethyl)phenol (PubChem CID 159248393) has the molecular formula C89H88ClN29O8 and a molecular weight of 1727.33 g/mol. Its IUPAC name is 6-(4-tert-butylphenoxy)-7H-purine;3-chloro-N-(7H-purin-6-yl)benzamide;6-(2-ethylhexoxy)-7H-purine;6-(2-methylbutoxy)-7H-purine;6-(naphthalen-2-ylmethoxy)-7H-purine;6-phenoxy-7H-purine;4-(7H-purin-6-yloxymethyl)phenol.

Molecular Properties

Compound Name6-(4-tert-butylphenoxy)-7H-purine;3-chloro-N-(7H-purin-6-yl)benzamide;6-(2-ethylhexoxy)-7H-purine;6-(2-methylbutoxy)-7H-purine;6-(naphthalen-2-ylmethoxy)-7H-purine;6-phenoxy-7H-purine;4-(7H-purin-6-yloxymethyl)phenol
PubChem CID159248393
Molecular FormulaC89H88ClN29O8
Molecular Weight1727.33 g/mol
Exact Mass1725.71
IUPAC Name6-(4-tert-butylphenoxy)-7H-purine;3-chloro-N-(7H-purin-6-yl)benzamide;6-(2-ethylhexoxy)-7H-purine;6-(2-methylbutoxy)-7H-purine;6-(naphthalen-2-ylmethoxy)-7H-purine;6-phenoxy-7H-purine;4-(7H-purin-6-yloxymethyl)phenol
SMILESCC(C)(C)c1ccc(Oc2ncnc3nc[nH]c23)cc1.CCC(C)COc1ncnc2nc[nH]c12.CCCCC(CC)COc1ncnc2nc[nH]c12.O=C(Nc1ncnc2nc[nH]c12)c1cccc(Cl)c1.Oc1ccc(COc2ncnc3nc[nH]c23)cc1.c1ccc(Oc2ncnc3nc[nH]c23)cc1.c1ccc2cc(COc3ncnc4nc[nH]c34)ccc2c1
InChIInChI=1S/C16H12N4O.C15H16N4O.C13H20N4O.C12H8ClN5O.C12H10N4O2.C11H8N4O.C10H14N4O/c1-2-4-13-7-11(5-6-12(13)3-1)8-21-16-14-15(18-9-17-14)19-10-20-16;1-15(2,3)10-4-6-11(7-5-10)20-14-12-13(17-8-16-12)18-9-19-14;1-3-5-6-10(4-2)7-18-13-11-12(15-8-14-11)16-9-17-13;13-8-3-1-2-7(4-8)12(19)18-11-9-10(15-5-14-9)16-6-17-11;17-9-3-1-8(2-4-9)5-18-12-10-11(14-6-13-10)15-7-16-12;1-2-4-8(5-3-1)16-11-9-10(13-6-12-9)14-7-15-11;1-3-7(2)4-15-10-8-9(12-5-11-8)13-6-14-10/h1-7,9-10H,8H2,(H,17,18,19,20);4-9H,1-3H3,(H,16,17,18,19);8-10H,3-7H2,1-2H3,(H,14,15,16,17);1-6H,(H2,14,15,16,17,18,19);1-4,6-7,17H,5H2,(H,13,14,15,16);1-7H,(H,12,13,14,15);5-7H,3-4H2,1-2H3,(H,11,12,13,14)
InChIKeyKUYWHIBDZJRNDN-UHFFFAOYSA-N
XLogP17.30
TPSA485.93 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds23
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001727.33
LogP ≤ 517.30
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Analyze 6-(4-tert-butylphenoxy)-7H-purine;3-chloro-N-(7H-purin-6-yl)benzamide;6-(2-ethylhexoxy)-7H-purine;6-(2-methylbutoxy)-7H-purine;6-(naphthalen-2-ylmethoxy)-7H-purine;6-phenoxy-7H-purine;4-(7H-purin-6-yloxymethyl)phenol with MolForge

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Related Compounds

N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;N-(7H-purin-6-yl)benzamide
CID 161041846
N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide
CID 9475751
2-[(3-chlorobenzoyl)amino]hexanoic acid
CID 43386912
[4-(2-ethylhexoxy)-2-hydroxyphenyl]-phenylmethanone
CID 17353
3-[(4-tert-butylphenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide
CID 19408634
4-methyl-2-(2-methylbutan-2-yl)-N-(7H-purin-6-yl)hexanamide
CID 70962567
N-(1-benzyl-4-chloropyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide
CID 19400752
N'-[5-amino-6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19142591
3-[(4-tert-butylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19396109
N-[5-chloro-6-(4-hydroxyphenoxy)pyrimidin-4-yl]-3,4-dimethoxybenzamide
CID 175746842
N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride
CID 119667644
1-tert-butyl-4-(2-ethylhexoxymethyl)benzene
CID 134220783

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenoxy)-7H-purine;3-chloro-N-(7H-purin-6-yl)benzamide;6-(2-ethylhexoxy)-7H-purine;6-(2-methylbutoxy)-7H-purine;6-(naphthalen-2-ylmethoxy)-7H-purine;6-phenoxy-7H-purine;4-(7H-purin-6-yloxymethyl)phenol?
The IUPAC name of 6-(4-tert-butylphenoxy)-7H-purine;3-chloro-N-(7H-purin-6-yl)benzamide;6-(2-ethylhexoxy)-7H-purine;6-(2-methylbutoxy)-7H-purine;6-(naphthalen-2-ylmethoxy)-7H-purine;6-phenoxy-7H-purine;4-(7H-purin-6-yloxymethyl)phenol (CID 159248393) is 6-(4-tert-butylphenoxy)-7H-purine;3-chloro-N-(7H-purin-6-yl)benzamide;6-(2-ethylhexoxy)-7H-purine;6-(2-methylbutoxy)-7H-purine;6-(naphthalen-2-ylmethoxy)-7H-purine;6-phenoxy-7H-purine;4-(7H-purin-6-yloxymethyl)phenol.
What is the SMILES notation for 6-(4-tert-butylphenoxy)-7H-purine;3-chloro-N-(7H-purin-6-yl)benzamide;6-(2-ethylhexoxy)-7H-purine;6-(2-methylbutoxy)-7H-purine;6-(naphthalen-2-ylmethoxy)-7H-purine;6-phenoxy-7H-purine;4-(7H-purin-6-yloxymethyl)phenol?
The canonical SMILES for 6-(4-tert-butylphenoxy)-7H-purine;3-chloro-N-(7H-purin-6-yl)benzamide;6-(2-ethylhexoxy)-7H-purine;6-(2-methylbutoxy)-7H-purine;6-(naphthalen-2-ylmethoxy)-7H-purine;6-phenoxy-7H-purine;4-(7H-purin-6-yloxymethyl)phenol is CC(C)(C)c1ccc(Oc2ncnc3nc[nH]c23)cc1.CCC(C)COc1ncnc2nc[nH]c12.CCCCC(CC)COc1ncnc2nc[nH]c12.O=C(Nc1ncnc2nc[nH]c12)c1cccc(Cl)c1.Oc1ccc(COc2ncnc3nc[nH]c23)cc1.c1ccc(Oc2ncnc3nc[nH]c23)cc1.c1ccc2cc(COc3ncnc4nc[nH]c34)ccc2c1.
What is the InChIKey of 6-(4-tert-butylphenoxy)-7H-purine;3-chloro-N-(7H-purin-6-yl)benzamide;6-(2-ethylhexoxy)-7H-purine;6-(2-methylbutoxy)-7H-purine;6-(naphthalen-2-ylmethoxy)-7H-purine;6-phenoxy-7H-purine;4-(7H-purin-6-yloxymethyl)phenol?
The InChIKey is KUYWHIBDZJRNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O.C15H16N4O.C13H20N4O.C12H8ClN5O.C12H10N4O2.C11H8N4O.C10H14N4O/c1-2-4-13-7-11(5-6-12(13)3-1)8-21-16-14-15(18-9-17-14)19-10-20-16;1-15(2,3)10-4-6-11(7-5-10)20-14-12-13(17-8-16-12)18-9-19-14;1-3-5-6-10(4-2)7-18-13-11-12(15-8-14-11)16-9-17-13;13-8-3-1-2-7(4-8)12(19)18-11-9-10(15-5-14-9)16-6-17-11;17-9-3-1-8(2-4-9)5-18-12-10-11(14-6-13-10)15-7-16-12;1-2-4-8(5-3-1)16-11-9-10(13-6-12-9)14-7-15-11;1-3-7(2)4-15-10-8-9(12-5-11-8)13-6-14-10/h1-7,9-10H,8H2,(H,17,18,19,20);4-9H,1-3H3,(H,16,17,18,19);8-10H,3-7H2,1-2H3,(H,14,15,16,17);1-6H,(H2,14,15,16,17,18,19);1-4,6-7,17H,5H2,(H,13,14,15,16);1-7H,(H,12,13,14,15);5-7H,3-4H2,1-2H3,(H,11,12,13,14).
What are the key properties of 6-(4-tert-butylphenoxy)-7H-purine;3-chloro-N-(7H-purin-6-yl)benzamide;6-(2-ethylhexoxy)-7H-purine;6-(2-methylbutoxy)-7H-purine;6-(naphthalen-2-ylmethoxy)-7H-purine;6-phenoxy-7H-purine;4-(7H-purin-6-yloxymethyl)phenol?
6-(4-tert-butylphenoxy)-7H-purine;3-chloro-N-(7H-purin-6-yl)benzamide;6-(2-ethylhexoxy)-7H-purine;6-(2-methylbutoxy)-7H-purine;6-(naphthalen-2-ylmethoxy)-7H-purine;6-phenoxy-7H-purine;4-(7H-purin-6-yloxymethyl)phenol has a molecular weight of 1727.33 g/mol, XLogP of 17.30, 23 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenoxy)-7H-purine;3-chloro-N-(7H-purin-6-yl)benzamide;6-(2-ethylhexoxy)-7H-purine;6-(2-methylbutoxy)-7H-purine;6-(naphthalen-2-ylmethoxy)-7H-purine;6-phenoxy-7H-purine;4-(7H-purin-6-yloxymethyl)phenol is sourced from PubChem (CID 159248393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).