N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide

C75H70N32O4 — CID 157053927

IUPACN-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide
SMILESCCc1ccc(COc2ncnc3nc[nH]c23)cc1.CN(C)c1ncnc2nc[nH]c12.Cc1cccc(COc2ncnc3nc[nH]c23)c1.Nc1ncnc2nc[nH]c12.O=C(Nc1ncnc2nc[nH]c12)c1ccccc1.c1ccc(CNc2ncnc3nc[nH]c23)cc1.c1ccc(COc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C14H14N4O.C13H12N4O.C12H9N5O.C12H11N5.C12H10N4O.C7H9N5.C5H5N5/c1-2-10-3-5-11(6-4-10)7-19-14-12-13(16-8-15-12)17-9-18-14;1-9-3-2-4-10(5-9)6-18-13-11-12(15-7-14-11)16-8-17-13;18-12(8-4-2-1-3-5-8)17-11-9-10(14-6-13-9)15-7-16-11;1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11;1-2-4-9(5-3-1)6-17-12-10-11(14-7-13-10)15-8-16-12;1-12(2)7-5-6(9-3-8-5)10-4-11-7;6-4-3-5(9-1-7-3)10-2-8-4/h3-6,8-9H,2,7H2,1H3,(H,15,16,17,18);2-5,7-8H,6H2,1H3,(H,14,15,16,17);1-7H,(H2,13,14,15,16,17,18);1-5,7-8H,6H2,(H2,13,14,15,16,17);1-5,7-8H,6H2,(H,13,14,15,16);3-4H,1-2H3,(H,8,9,10,11);1-2H,(H3,6,7,8,9,10)
InChIKeyAANIKOBYCZIMHG-UHFFFAOYSA-N
MW1483.60 g/mol
LogP10.59
Rot. Bonds16

About N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide

N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide (PubChem CID 157053927) has the molecular formula C75H70N32O4 and a molecular weight of 1483.60 g/mol. Its IUPAC name is N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide
PubChem CID157053927
Molecular FormulaC75H70N32O4
Molecular Weight1483.60 g/mol
Exact Mass1482.63
IUPAC NameN-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide
SMILESCCc1ccc(COc2ncnc3nc[nH]c23)cc1.CN(C)c1ncnc2nc[nH]c12.Cc1cccc(COc2ncnc3nc[nH]c23)c1.Nc1ncnc2nc[nH]c12.O=C(Nc1ncnc2nc[nH]c12)c1ccccc1.c1ccc(CNc2ncnc3nc[nH]c23)cc1.c1ccc(COc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C14H14N4O.C13H12N4O.C12H9N5O.C12H11N5.C12H10N4O.C7H9N5.C5H5N5/c1-2-10-3-5-11(6-4-10)7-19-14-12-13(16-8-15-12)17-9-18-14;1-9-3-2-4-10(5-9)6-18-13-11-12(15-7-14-11)16-8-17-13;18-12(8-4-2-1-3-5-8)17-11-9-10(14-6-13-9)15-7-16-11;1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11;1-2-4-9(5-3-1)6-17-12-10-11(14-7-13-10)15-8-16-12;1-12(2)7-5-6(9-3-8-5)10-4-11-7;6-4-3-5(9-1-7-3)10-2-8-4/h3-6,8-9H,2,7H2,1H3,(H,15,16,17,18);2-5,7-8H,6H2,1H3,(H,14,15,16,17);1-7H,(H2,13,14,15,16,17,18);1-5,7-8H,6H2,(H2,13,14,15,16,17);1-5,7-8H,6H2,(H,13,14,15,16);3-4H,1-2H3,(H,8,9,10,11);1-2H,(H3,6,7,8,9,10)
InChIKeyAANIKOBYCZIMHG-UHFFFAOYSA-N
XLogP10.59
TPSA479.30 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds16
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001483.60
LogP ≤ 510.59
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Analyze N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide with MolForge

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Related Compounds

4-(aminomethyl)-N-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]benzamide;N-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide
CID 159574480
dipotassium;bis(6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-2-amine);N-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]heptanamide;bis(4-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]-1,1,1-trifluorobutan-2-one);heptanoic acid;hydride;oxido formate
CID 160826468
CID 160956239
CID 160956239
1-(2-fluorophenyl)-2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]ethanone;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-ylamino)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-(3-methylphenyl)pyridin-2-one;3-[2-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]acetyl]-1-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 167700718
[4-(acetamidomethyl)benzoyl] 4-(acetamidomethyl)benzoate;6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-2-amine;N-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide;N-benzyl-2,2,2-trifluoroacetamide;carbon dioxide;deuterioethyne;oxolane
CID 176518258
SNAP-CoraFluor-1
CID 156024476
N-[2-[2-[2-[2-[[4-[(2-amino-9H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[6-[2-[2-[2-[[4-[(2-amino-9H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]-N'-[2-[2-[2-[2-[[4-[(2-amino-7H-pyrrolo[3,2-d]pyrimidin-4-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[2-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]heptanediamide
CID 58107554
N-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-4-ethylbenzamide
CID 58445953
N,N'-bis[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[3-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-4-[2-[2-[2-[2-(hexanoylamino)ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]heptanediamide
CID 88984639
4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylcarbamoylamino]-N,N'-bis[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[3-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]heptanediamide
CID 88984679
N-[1,3-bis[3-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propan-2-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
CID 88984709
N'-[[4-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methylcarbamoyl]phenyl]methyl]-N-hexylpentanediamide
CID 90296749

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide?
The IUPAC name of N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide (CID 157053927) is N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide.
What is the SMILES notation for N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide?
The canonical SMILES for N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide is CCc1ccc(COc2ncnc3nc[nH]c23)cc1.CN(C)c1ncnc2nc[nH]c12.Cc1cccc(COc2ncnc3nc[nH]c23)c1.Nc1ncnc2nc[nH]c12.O=C(Nc1ncnc2nc[nH]c12)c1ccccc1.c1ccc(CNc2ncnc3nc[nH]c23)cc1.c1ccc(COc2ncnc3nc[nH]c23)cc1.
What is the InChIKey of N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide?
The InChIKey is AANIKOBYCZIMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O.C13H12N4O.C12H9N5O.C12H11N5.C12H10N4O.C7H9N5.C5H5N5/c1-2-10-3-5-11(6-4-10)7-19-14-12-13(16-8-15-12)17-9-18-14;1-9-3-2-4-10(5-9)6-18-13-11-12(15-7-14-11)16-8-17-13;18-12(8-4-2-1-3-5-8)17-11-9-10(14-6-13-9)15-7-16-11;1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11;1-2-4-9(5-3-1)6-17-12-10-11(14-7-13-10)15-8-16-12;1-12(2)7-5-6(9-3-8-5)10-4-11-7;6-4-3-5(9-1-7-3)10-2-8-4/h3-6,8-9H,2,7H2,1H3,(H,15,16,17,18);2-5,7-8H,6H2,1H3,(H,14,15,16,17);1-7H,(H2,13,14,15,16,17,18);1-5,7-8H,6H2,(H2,13,14,15,16,17);1-5,7-8H,6H2,(H,13,14,15,16);3-4H,1-2H3,(H,8,9,10,11);1-2H,(H3,6,7,8,9,10).
What are the key properties of N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide?
N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide has a molecular weight of 1483.60 g/mol, XLogP of 10.59, 16 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide is sourced from PubChem (CID 157053927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).