N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(2-methylphenyl)methoxy]-7H-purine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide

C88H82N36O5 — CID 158384609

IUPACN-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(2-methylphenyl)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.Cc1ccccc1COc1ncnc2nc[nH]c12.Nc1ncnc2nc[nH]c12.O=C(Nc1ncnc2nc[nH]c12)c1ccccc1.c1ccc(CNc2ncnc3nc[nH]c23)cc1.c1ccc(COc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C14H14N4O.2C13H12N4O.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;1-9-4-2-3-5-10(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*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)
InChIKeyGWFGVIFABAKXHF-UHFFFAOYSA-N
MW1723.87 g/mol
LogP12.83
Rot. Bonds19

About N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(2-methylphenyl)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-[(2-methylphenyl)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 158384609) has the molecular formula C88H82N36O5 and a molecular weight of 1723.87 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-[(2-methylphenyl)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-[(2-methylphenyl)methoxy]-7H-purine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide
PubChem CID158384609
Molecular FormulaC88H82N36O5
Molecular Weight1723.87 g/mol
Exact Mass1722.73
IUPAC NameN-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(2-methylphenyl)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.Cc1ccccc1COc1ncnc2nc[nH]c12.Nc1ncnc2nc[nH]c12.O=C(Nc1ncnc2nc[nH]c12)c1ccccc1.c1ccc(CNc2ncnc3nc[nH]c23)cc1.c1ccc(COc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C14H14N4O.2C13H12N4O.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;1-9-4-2-3-5-10(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*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)
InChIKeyGWFGVIFABAKXHF-UHFFFAOYSA-N
XLogP12.83
TPSA542.99 Ų
H-Bond Donors11
H-Bond Acceptors32
Rotatable Bonds19
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001723.87
LogP ≤ 512.83
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1032

Analyze N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(2-methylphenyl)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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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-[(2-methylphenyl)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-[(2-methylphenyl)methoxy]-7H-purine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;7H-purin-6-amine;N-(7H-purin-6-yl)benzamide (CID 158384609) is N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(4-ethylphenyl)methoxy]-7H-purine;6-[(2-methylphenyl)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-[(2-methylphenyl)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-[(2-methylphenyl)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.Cc1ccccc1COc1ncnc2nc[nH]c12.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-[(2-methylphenyl)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 GWFGVIFABAKXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O.2C13H12N4O.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;1-9-4-2-3-5-10(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*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-[(2-methylphenyl)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-[(2-methylphenyl)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 1723.87 g/mol, XLogP of 12.83, 19 rotatable bonds, 11 hydrogen bond donors, and 32 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-[(2-methylphenyl)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 158384609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).