N-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methoxybenzamide;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

C93H87N37O7 — CID 157437934

IUPACN-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methoxybenzamide;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
SMILESCCc1ccc(COc2ncnc3nc[nH]c23)cc1.CN(C)c1ncnc2nc[nH]c12.COc1ccc(C(=O)Nc2nc(Nc3ccccc3)nc(OC)n2)cc1.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/C18H17N5O3.C14H14N4O.C13H12N4O.C12H9N5O.C12H11N5.C12H10N4O.C7H9N5.C5H5N5/c1-25-14-10-8-12(9-11-14)15(24)20-17-21-16(22-18(23-17)26-2)19-13-6-4-3-5-7-13;1-2-10-3-5-11(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/h3-11H,1-2H3,(H2,19,20,21,22,23,24);3-6,8-9H,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)
InChIKeyBRICXRZXYIETRY-UHFFFAOYSA-N
MW1834.97 g/mol
LogP13.48
Rot. Bonds22

About N-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methoxybenzamide;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-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methoxybenzamide;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 157437934) has the molecular formula C93H87N37O7 and a molecular weight of 1834.97 g/mol. Its IUPAC name is N-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methoxybenzamide;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-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methoxybenzamide;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 CID157437934
Molecular FormulaC93H87N37O7
Molecular Weight1834.97 g/mol
Exact Mass1833.76
IUPAC NameN-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methoxybenzamide;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
SMILESCCc1ccc(COc2ncnc3nc[nH]c23)cc1.CN(C)c1ncnc2nc[nH]c12.COc1ccc(C(=O)Nc2nc(Nc3ccccc3)nc(OC)n2)cc1.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/C18H17N5O3.C14H14N4O.C13H12N4O.C12H9N5O.C12H11N5.C12H10N4O.C7H9N5.C5H5N5/c1-25-14-10-8-12(9-11-14)15(24)20-17-21-16(22-18(23-17)26-2)19-13-6-4-3-5-7-13;1-2-10-3-5-11(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/h3-11H,1-2H3,(H2,19,20,21,22,23,24);3-6,8-9H,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)
InChIKeyBRICXRZXYIETRY-UHFFFAOYSA-N
XLogP13.48
TPSA577.56 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds22
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001834.97
LogP ≤ 513.48
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Analyze N-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methoxybenzamide;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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-(((2-amino-9H-purin-6-yl)oxy)methyl)benzyl)-2-cyano-3',6'-bis(dimethylamino)-3-oxospiro[isoindoline-1,9'-xanthene]-6-carboxamide
CID 139208899
2-[3-(1,1-difluoroethyl)phenyl]-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(3-ethoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;3-(4-methylphenyl)-1-[4-(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one;3-(4-methylphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 158454169
1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine;[4-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]piperazin-1-yl]-phenylmethanone;1-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-(3-methoxyphenyl)piperazine;1-[(4,5-diphenyl-1H-imidazol-2-yl)methyl]-4-[3-(3-methylbut-2-enoxy)phenyl]piperazine
CID 159178216
3-[4-(6-acetamido-3-pyridinyl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[2-methoxy-3-[[2-methoxyethyl(methyl)amino]methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;4-methyl-3-[4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 159391843
6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-[1-(2-methylpropyl)indol-5-yl]pyrimidine-4-carboxamide;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;2-[1-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;2-[3-(4-methylphenyl)benzimidazol-5-yl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide;6-[1-(2-methylpropyl)indol-5-yl]pyridine-2-carbaldehyde
CID 160728328
N-[(4-methoxyphenyl)methyl]-3-methyl-4-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]aniline;N-[4-methyl-3-[(5-methyl-4-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[4-[[3-methyl-4-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]anilino]methyl]phenyl]acetamide;N-[4-methyl-3-[(4-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 161741749
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
N-[9-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-[[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]benzamide
CID 16173862
N-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-4-[[4-[[4-(6,20-diethyl-7,7,9,17,19,19-hexamethyl-2-oxa-20-aza-6-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,8,10,12,15,17,21-nonaen-13-yl)benzoyl]-methylamino]butanoylamino]methyl]benzamide
CID 45137157
N-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-4-[6-[[4-(6,20-diethyl-7,7,9,17,19,19-hexamethyl-2-oxa-20-aza-6-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,8,10,12,15,17,21-nonaen-13-yl)benzoyl]-methylamino]-3-oxohexyl]benzamide
CID 58445909
N-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-4-[[4-[[4-(6,20-diethyl-7,7,9,17,19,19-hexamethyl-2-oxa-20-aza-6-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,8,10,12,15,17,21-nonaen-13-yl)benzoyl]amino]butanoylamino]methyl]benzamide
CID 89078159
N-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-4-[[4-[[4-(6,20-diethyl-7,7,9,11,17,19,19-heptamethyl-2-oxa-20-aza-6-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,8,12,15,17,21-octaen-13-yl)benzoyl]-methylamino]butanoylamino]methyl]benzamide
CID 90730619

Frequently Asked Questions

What is the IUPAC name of N-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methoxybenzamide;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-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methoxybenzamide;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 157437934) is N-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methoxybenzamide;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-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methoxybenzamide;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-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methoxybenzamide;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.COc1ccc(C(=O)Nc2nc(Nc3ccccc3)nc(OC)n2)cc1.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-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methoxybenzamide;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 BRICXRZXYIETRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3.C14H14N4O.C13H12N4O.C12H9N5O.C12H11N5.C12H10N4O.C7H9N5.C5H5N5/c1-25-14-10-8-12(9-11-14)15(24)20-17-21-16(22-18(23-17)26-2)19-13-6-4-3-5-7-13;1-2-10-3-5-11(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/h3-11H,1-2H3,(H2,19,20,21,22,23,24);3-6,8-9H,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-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methoxybenzamide;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-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methoxybenzamide;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 1834.97 g/mol, XLogP of 13.48, 22 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methoxybenzamide;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 157437934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).