N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine

C139H154N70O3 — CID 158964890

IUPACN-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine
SMILESC/C=C/CNc1ncnc2nc[nH]c12.CC(C)=CCNc1ncnc2nc[nH]c12.CC/C(C)=C\CNc1ncnc2nc[nH]c12.CCCCNc1ncnc2nc[nH]c12.Cc1cccc(CNc2ncnc3nc[nH]c23)c1.c1cc(CNc2ncnc3nc[nH]c23)ccn1.c1cc(CNc2ncnc3nc[nH]c23)ncn1.c1ccc(CCNc2ncnc3nc[nH]c23)cc1.c1ccc(CNc2ncnc3nc[nH]c23)cc1.c1cnc(CNc2ncnc3nc[nH]c23)cn1.c1coc(CNc2ncnc3nc[nH]c23)c1.c1nc(NCC2CCCCO2)c2[nH]cnc2n1.c1nc(NCC2CCCO2)c2[nH]cnc2n1
InChIInChI=1S/2C13H13N5.C12H11N5.C11H10N6.C11H15N5O.C11H15N5.2C10H9N7.C10H13N5O.C10H9N5O.C10H13N5.C9H13N5.C9H11N5/c1-9-3-2-4-10(5-9)6-14-12-11-13(16-7-15-11)18-8-17-12;1-2-4-10(5-3-1)6-7-14-12-11-13(16-8-15-11)18-9-17-12;1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11;1-3-12-4-2-8(1)5-13-10-9-11(15-6-14-9)17-7-16-10;1-2-4-17-8(3-1)5-12-10-9-11(14-6-13-9)16-7-15-10;1-3-8(2)4-5-12-10-9-11(14-6-13-9)16-7-15-10;1-2-12-7(3-11-1)4-13-9-8-10(15-5-14-8)17-6-16-9;1-2-11-4-13-7(1)3-12-9-8-10(15-5-14-8)17-6-16-9;2*1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9;2*1-2-3-4-10-8-7-9(12-5-11-7)14-6-13-8/h2-5,7-8H,6H2,1H3,(H2,14,15,16,17,18);1-5,8-9H,6-7H2,(H2,14,15,16,17,18);1-5,7-8H,6H2,(H2,13,14,15,16,17);1-4,6-7H,5H2,(H2,13,14,15,16,17);6-8H,1-5H2,(H2,12,13,14,15,16);4,6-7H,3,5H2,1-2H3,(H2,12,13,14,15,16);1-3,5-6H,4H2,(H2,13,14,15,16,17);1-2,4-6H,3H2,(H2,12,14,15,16,17);5-7H,1-4H2,(H2,11,12,13,14,15);1-3,5-6H,4H2,(H2,11,12,13,14,15);3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15);5-6H,2-4H2,1H3,(H2,10,11,12,13,14);2-3,5-6H,4H2,1H3,(H2,10,11,12,13,14)/b;;;;;8-4-;;;;;;;3-2+
InChIKeyJNBPZOLRYGLUEJ-CIZSNMFMSA-N
MW2853.25 g/mol
LogP19.71
Rot. Bonds42

About N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine

N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine (PubChem CID 158964890) has the molecular formula C139H154N70O3 and a molecular weight of 2853.25 g/mol. Its IUPAC name is N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine
PubChem CID158964890
Molecular FormulaC139H154N70O3
Molecular Weight2853.25 g/mol
Exact Mass2851.40
IUPAC NameN-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine
SMILESC/C=C/CNc1ncnc2nc[nH]c12.CC(C)=CCNc1ncnc2nc[nH]c12.CC/C(C)=C\CNc1ncnc2nc[nH]c12.CCCCNc1ncnc2nc[nH]c12.Cc1cccc(CNc2ncnc3nc[nH]c23)c1.c1cc(CNc2ncnc3nc[nH]c23)ccn1.c1cc(CNc2ncnc3nc[nH]c23)ncn1.c1ccc(CCNc2ncnc3nc[nH]c23)cc1.c1ccc(CNc2ncnc3nc[nH]c23)cc1.c1cnc(CNc2ncnc3nc[nH]c23)cn1.c1coc(CNc2ncnc3nc[nH]c23)c1.c1nc(NCC2CCCCO2)c2[nH]cnc2n1.c1nc(NCC2CCCO2)c2[nH]cnc2n1
InChIInChI=1S/2C13H13N5.C12H11N5.C11H10N6.C11H15N5O.C11H15N5.2C10H9N7.C10H13N5O.C10H9N5O.C10H13N5.C9H13N5.C9H11N5/c1-9-3-2-4-10(5-9)6-14-12-11-13(16-7-15-11)18-8-17-12;1-2-4-10(5-3-1)6-7-14-12-11-13(16-8-15-11)18-9-17-12;1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11;1-3-12-4-2-8(1)5-13-10-9-11(15-6-14-9)17-7-16-10;1-2-4-17-8(3-1)5-12-10-9-11(14-6-13-9)16-7-15-10;1-3-8(2)4-5-12-10-9-11(14-6-13-9)16-7-15-10;1-2-12-7(3-11-1)4-13-9-8-10(15-5-14-8)17-6-16-9;1-2-11-4-13-7(1)3-12-9-8-10(15-5-14-8)17-6-16-9;2*1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9;2*1-2-3-4-10-8-7-9(12-5-11-7)14-6-13-8/h2-5,7-8H,6H2,1H3,(H2,14,15,16,17,18);1-5,8-9H,6-7H2,(H2,14,15,16,17,18);1-5,7-8H,6H2,(H2,13,14,15,16,17);1-4,6-7H,5H2,(H2,13,14,15,16,17);6-8H,1-5H2,(H2,12,13,14,15,16);4,6-7H,3,5H2,1-2H3,(H2,12,13,14,15,16);1-3,5-6H,4H2,(H2,13,14,15,16,17);1-2,4-6H,3H2,(H2,12,14,15,16,17);5-7H,1-4H2,(H2,11,12,13,14,15);1-3,5-6H,4H2,(H2,11,12,13,14,15);3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15);5-6H,2-4H2,1H3,(H2,10,11,12,13,14);2-3,5-6H,4H2,1H3,(H2,10,11,12,13,14)/b;;;;;8-4-;;;;;;;3-2+
InChIKeyJNBPZOLRYGLUEJ-CIZSNMFMSA-N
XLogP19.71
TPSA960.42 Ų
H-Bond Donors26
H-Bond Acceptors60
Rotatable Bonds42
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002853.25
LogP ≤ 519.71
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

7-(furan-2-ylmethyl)-N-(3-imidazol-1-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 2930286
3-[1-(Furan-2-ylmethyl)piperidin-4-yl]-4,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 136227347
N-(furan-2-ylmethyl)-8-(1H-indol-5-yl)imidazo[1,2-c]pyrimidin-5-amine
CID 172449180
(4R)-4-[2-(furan-2-yl)pyrimidin-5-yl]-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95551011
N-[(2S,4R)-2-benzyl-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 142636635
N-[(2S,4S)-2-benzyl-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 142636637
[4-[2-[5-[[1-[1-[4-[(2-Aminopyrimidin-5-yl)methyl]piperazine-1-carbonyl]piperidin-4-yl]-2-pyridin-2-ylbenzimidazol-5-yl]methyl]-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[1-[[5-[(dimethylamino)methyl]furan-2-yl]methyl]-4-fluoropiperidin-4-yl]methanone
CID 142820982
ethyl 4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]piperidine-1-carboxylate;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(4-fluorophenyl)-3-[3-(trifluoromethoxy)propyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 158403835
8-(cyclobutylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-[2-[2-(trifluoromethyl)phenyl]ethyl]-7H-purin-6-amine
CID 159507027
N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 159984627
12-(3,4-Difluorophenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(2-ethylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(4-ethylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(2-fluorophenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(furan-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(2-methylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-(trifluoromethoxy)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 160564823
2-bromo-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(oxetan-3-yloxy)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-8-N-(oxetan-3-yl)-6-N-(pyrimidin-4-ylmethyl)-7H-purine-6,8-diamine
CID 161165918

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine?
The IUPAC name of N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine (CID 158964890) is N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine.
What is the SMILES notation for N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine?
The canonical SMILES for N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine is C/C=C/CNc1ncnc2nc[nH]c12.CC(C)=CCNc1ncnc2nc[nH]c12.CC/C(C)=C\CNc1ncnc2nc[nH]c12.CCCCNc1ncnc2nc[nH]c12.Cc1cccc(CNc2ncnc3nc[nH]c23)c1.c1cc(CNc2ncnc3nc[nH]c23)ccn1.c1cc(CNc2ncnc3nc[nH]c23)ncn1.c1ccc(CCNc2ncnc3nc[nH]c23)cc1.c1ccc(CNc2ncnc3nc[nH]c23)cc1.c1cnc(CNc2ncnc3nc[nH]c23)cn1.c1coc(CNc2ncnc3nc[nH]c23)c1.c1nc(NCC2CCCCO2)c2[nH]cnc2n1.c1nc(NCC2CCCO2)c2[nH]cnc2n1.
What is the InChIKey of N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine?
The InChIKey is JNBPZOLRYGLUEJ-CIZSNMFMSA-N. The full InChI is InChI=1S/2C13H13N5.C12H11N5.C11H10N6.C11H15N5O.C11H15N5.2C10H9N7.C10H13N5O.C10H9N5O.C10H13N5.C9H13N5.C9H11N5/c1-9-3-2-4-10(5-9)6-14-12-11-13(16-7-15-11)18-8-17-12;1-2-4-10(5-3-1)6-7-14-12-11-13(16-8-15-11)18-9-17-12;1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11;1-3-12-4-2-8(1)5-13-10-9-11(15-6-14-9)17-7-16-10;1-2-4-17-8(3-1)5-12-10-9-11(14-6-13-9)16-7-15-10;1-3-8(2)4-5-12-10-9-11(14-6-13-9)16-7-15-10;1-2-12-7(3-11-1)4-13-9-8-10(15-5-14-8)17-6-16-9;1-2-11-4-13-7(1)3-12-9-8-10(15-5-14-8)17-6-16-9;2*1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9;2*1-2-3-4-10-8-7-9(12-5-11-7)14-6-13-8/h2-5,7-8H,6H2,1H3,(H2,14,15,16,17,18);1-5,8-9H,6-7H2,(H2,14,15,16,17,18);1-5,7-8H,6H2,(H2,13,14,15,16,17);1-4,6-7H,5H2,(H2,13,14,15,16,17);6-8H,1-5H2,(H2,12,13,14,15,16);4,6-7H,3,5H2,1-2H3,(H2,12,13,14,15,16);1-3,5-6H,4H2,(H2,13,14,15,16,17);1-2,4-6H,3H2,(H2,12,14,15,16,17);5-7H,1-4H2,(H2,11,12,13,14,15);1-3,5-6H,4H2,(H2,11,12,13,14,15);3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15);5-6H,2-4H2,1H3,(H2,10,11,12,13,14);2-3,5-6H,4H2,1H3,(H2,10,11,12,13,14)/b;;;;;8-4-;;;;;;;3-2+.
What are the key properties of N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine?
N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine has a molecular weight of 2853.25 g/mol, XLogP of 19.71, 42 rotatable bonds, 26 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7H-purin-6-amine;N-[(E)-but-2-enyl]-7H-purin-6-amine;N-butyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(oxan-2-ylmethyl)-7H-purin-6-amine;N-(oxolan-2-ylmethyl)-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;N-(pyrazin-2-ylmethyl)-7H-purin-6-amine;N-(pyridin-4-ylmethyl)-7H-purin-6-amine;N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 158964890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).