2-[6-(benzylamino)-2-fluoropurin-9-yl]ethanol;N-benzyl-2-fluoro-7H-purin-6-amine;N-benzyl-9-methylpurin-6-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-benzyl-7H-purin-6-amine;N-[(4-chlorophenyl)methyl]-2-fluoro-7H-purin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine;bis(2-fluoro-N-[(2-methylphenyl)methyl]-7H-purin-6-amine);2-fluoro-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;methane

C127H120ClF7N52O2 — CID 157143280

IUPAC2-[6-(benzylamino)-2-fluoropurin-9-yl]ethanol;N-benzyl-2-fluoro-7H-purin-6-amine;N-benzyl-9-methylpurin-6-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-benzyl-7H-purin-6-amine;N-[(4-chlorophenyl)methyl]-2-fluoro-7H-purin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine;bis(2-fluoro-N-[(2-methylphenyl)methyl]-7H-purin-6-amine);2-fluoro-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;methane
SMILESC.COc1ccccc1CNc1nc(F)nc2nc[nH]c12.Cc1ccccc1CNc1nc(F)nc2nc[nH]c12.Cc1ccccc1CNc1nc(F)nc2nc[nH]c12.Cn1cnc2c(NCc3ccccc3)nc(N)nc21.Cn1cnc2c(NCc3ccccc3)ncnc21.Fc1nc(NCc2ccc(Cl)cc2)c2[nH]cnc2n1.Fc1nc(NCc2ccccc2)c2[nH]cnc2n1.Fc1nc(NCc2cccnc2)c2[nH]cnc2n1.OCCn1cnc2c(NCc3ccccc3)nc(F)nc21.c1ccc(CNc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C14H14FN5O.C13H12FN5O.2C13H12FN5.C13H14N6.C13H13N5.C12H9ClFN5.C12H10FN5.C12H11N5.C11H9FN6.CH4/c15-14-18-12(16-8-10-4-2-1-3-5-10)11-13(19-14)20(6-7-21)9-17-11;1-20-9-5-3-2-4-8(9)6-15-11-10-12(17-7-16-10)19-13(14)18-11;2*1-8-4-2-3-5-9(8)6-15-11-10-12(17-7-16-10)19-13(14)18-11;1-19-8-16-10-11(17-13(14)18-12(10)19)15-7-9-5-3-2-4-6-9;1-18-9-17-11-12(15-8-16-13(11)18)14-7-10-5-3-2-4-6-10;13-8-3-1-7(2-4-8)5-15-10-9-11(17-6-16-9)19-12(14)18-10;13-12-17-10(9-11(18-12)16-7-15-9)14-6-8-4-2-1-3-5-8;1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11;12-11-17-9(8-10(18-11)16-6-15-8)14-5-7-2-1-3-13-4-7;/h1-5,9,21H,6-8H2,(H,16,18,19);2-5,7H,6H2,1H3,(H2,15,16,17,18,19);2*2-5,7H,6H2,1H3,(H2,15,16,17,18,19);2-6,8H,7H2,1H3,(H3,14,15,17,18);2-6,8-9H,7H2,1H3,(H,14,15,16);1-4,6H,5H2,(H2,15,16,17,18,19);1-5,7H,6H2,(H2,14,15,16,17,18);1-5,7-8H,6H2,(H2,13,14,15,16,17);1-4,6H,5H2,(H2,14,15,16,17,18);1H4
InChIKeyAKKQKAYYMIYSHE-UHFFFAOYSA-N
MW2575.16 g/mol
LogP21.00
Rot. Bonds33

About 2-[6-(benzylamino)-2-fluoropurin-9-yl]ethanol;N-benzyl-2-fluoro-7H-purin-6-amine;N-benzyl-9-methylpurin-6-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-benzyl-7H-purin-6-amine;N-[(4-chlorophenyl)methyl]-2-fluoro-7H-purin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine;bis(2-fluoro-N-[(2-methylphenyl)methyl]-7H-purin-6-amine);2-fluoro-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;methane

2-[6-(benzylamino)-2-fluoropurin-9-yl]ethanol;N-benzyl-2-fluoro-7H-purin-6-amine;N-benzyl-9-methylpurin-6-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-benzyl-7H-purin-6-amine;N-[(4-chlorophenyl)methyl]-2-fluoro-7H-purin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine;bis(2-fluoro-N-[(2-methylphenyl)methyl]-7H-purin-6-amine);2-fluoro-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;methane (PubChem CID 157143280) has the molecular formula C127H120ClF7N52O2 and a molecular weight of 2575.16 g/mol. Its IUPAC name is 2-[6-(benzylamino)-2-fluoropurin-9-yl]ethanol;N-benzyl-2-fluoro-7H-purin-6-amine;N-benzyl-9-methylpurin-6-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-benzyl-7H-purin-6-amine;N-[(4-chlorophenyl)methyl]-2-fluoro-7H-purin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine;bis(2-fluoro-N-[(2-methylphenyl)methyl]-7H-purin-6-amine);2-fluoro-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;methane.

Molecular Properties

Compound Name2-[6-(benzylamino)-2-fluoropurin-9-yl]ethanol;N-benzyl-2-fluoro-7H-purin-6-amine;N-benzyl-9-methylpurin-6-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-benzyl-7H-purin-6-amine;N-[(4-chlorophenyl)methyl]-2-fluoro-7H-purin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine;bis(2-fluoro-N-[(2-methylphenyl)methyl]-7H-purin-6-amine);2-fluoro-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;methane
PubChem CID157143280
Molecular FormulaC127H120ClF7N52O2
Molecular Weight2575.16 g/mol
Exact Mass2573.05
IUPAC Name2-[6-(benzylamino)-2-fluoropurin-9-yl]ethanol;N-benzyl-2-fluoro-7H-purin-6-amine;N-benzyl-9-methylpurin-6-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-benzyl-7H-purin-6-amine;N-[(4-chlorophenyl)methyl]-2-fluoro-7H-purin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine;bis(2-fluoro-N-[(2-methylphenyl)methyl]-7H-purin-6-amine);2-fluoro-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;methane
SMILESC.COc1ccccc1CNc1nc(F)nc2nc[nH]c12.Cc1ccccc1CNc1nc(F)nc2nc[nH]c12.Cc1ccccc1CNc1nc(F)nc2nc[nH]c12.Cn1cnc2c(NCc3ccccc3)nc(N)nc21.Cn1cnc2c(NCc3ccccc3)ncnc21.Fc1nc(NCc2ccc(Cl)cc2)c2[nH]cnc2n1.Fc1nc(NCc2ccccc2)c2[nH]cnc2n1.Fc1nc(NCc2cccnc2)c2[nH]cnc2n1.OCCn1cnc2c(NCc3ccccc3)nc(F)nc21.c1ccc(CNc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C14H14FN5O.C13H12FN5O.2C13H12FN5.C13H14N6.C13H13N5.C12H9ClFN5.C12H10FN5.C12H11N5.C11H9FN6.CH4/c15-14-18-12(16-8-10-4-2-1-3-5-10)11-13(19-14)20(6-7-21)9-17-11;1-20-9-5-3-2-4-8(9)6-15-11-10-12(17-7-16-10)19-13(14)18-11;2*1-8-4-2-3-5-9(8)6-15-11-10-12(17-7-16-10)19-13(14)18-11;1-19-8-16-10-11(17-13(14)18-12(10)19)15-7-9-5-3-2-4-6-9;1-18-9-17-11-12(15-8-16-13(11)18)14-7-10-5-3-2-4-6-10;13-8-3-1-7(2-4-8)5-15-10-9-11(17-6-16-9)19-12(14)18-10;13-12-17-10(9-11(18-12)16-7-15-9)14-6-8-4-2-1-3-5-8;1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11;12-11-17-9(8-10(18-11)16-6-15-8)14-5-7-2-1-3-13-4-7;/h1-5,9,21H,6-8H2,(H,16,18,19);2-5,7H,6H2,1H3,(H2,15,16,17,18,19);2*2-5,7H,6H2,1H3,(H2,15,16,17,18,19);2-6,8H,7H2,1H3,(H3,14,15,17,18);2-6,8-9H,7H2,1H3,(H,14,15,16);1-4,6H,5H2,(H2,15,16,17,18,19);1-5,7H,6H2,(H2,14,15,16,17,18);1-5,7-8H,6H2,(H2,13,14,15,16,17);1-4,6H,5H2,(H2,14,15,16,17,18);1H4
InChIKeyAKKQKAYYMIYSHE-UHFFFAOYSA-N
XLogP21.00
TPSA700.69 Ų
H-Bond Donors19
H-Bond Acceptors47
Rotatable Bonds33
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002575.16
LogP ≤ 521.00
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1047

Analyze 2-[6-(benzylamino)-2-fluoropurin-9-yl]ethanol;N-benzyl-2-fluoro-7H-purin-6-amine;N-benzyl-9-methylpurin-6-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-benzyl-7H-purin-6-amine;N-[(4-chlorophenyl)methyl]-2-fluoro-7H-purin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine;bis(2-fluoro-N-[(2-methylphenyl)methyl]-7H-purin-6-amine);2-fluoro-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;methane with MolForge

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Related Compounds

2-[amino-[1-[2-[3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]piperidin-4-yl]methyl]-1-[3-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]propyl]piperidin-4-ol
CID 87462719
1-[3-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]propyl]-3-[[1-[2-[3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]piperidin-4-yl]methylamino]piperidin-4-ol
CID 87462720
5-(1H-benzimidazol-2-yl)-N-(2-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;5-(1H-benzimidazol-2-yl)-N-cyclopentyl-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;5-(1H-benzimidazol-2-yl)-7-methyl-N-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine;ethane
CID 144135947
12-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[3-methoxy-5-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-(piperidin-1-ylmethyl)-3-(trifluoromethoxy)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 157102871
N-(4-chlorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrazin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine
CID 157131555
12-(4-Chlorophenyl)-3-(1-ethylpiperidin-4-yl)oxy-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile;12-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-3-(1-ethylpiperidin-4-yl)oxy-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile;3-(1-ethylpiperidin-4-yl)oxy-12-(3-fluorophenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile;3-(1-ethylpiperidin-4-yl)oxy-12-(4-fluorophenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile;3-(1-ethylpiperidin-4-yl)oxy-12-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile
CID 157464128
2-chloro-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]pyrimidin-5-amine;N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-methoxy-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]pyrimidin-5-amine;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine
CID 157493840
2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 157738751
2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 157803147
14-Chloro-10-[2-(4-methoxyphenyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-chloro-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;10-[2-(4-fluorophenyl)ethyl]-14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene;14-methyl-10-(2-phenylethyl)-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene
CID 157963397
2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
CID 157977837
N-(4-chloro-3-fluorophenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;N-(3,4-difluorophenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile
CID 157982953

Frequently Asked Questions

What is the IUPAC name of 2-[6-(benzylamino)-2-fluoropurin-9-yl]ethanol;N-benzyl-2-fluoro-7H-purin-6-amine;N-benzyl-9-methylpurin-6-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-benzyl-7H-purin-6-amine;N-[(4-chlorophenyl)methyl]-2-fluoro-7H-purin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine;bis(2-fluoro-N-[(2-methylphenyl)methyl]-7H-purin-6-amine);2-fluoro-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;methane?
The IUPAC name of 2-[6-(benzylamino)-2-fluoropurin-9-yl]ethanol;N-benzyl-2-fluoro-7H-purin-6-amine;N-benzyl-9-methylpurin-6-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-benzyl-7H-purin-6-amine;N-[(4-chlorophenyl)methyl]-2-fluoro-7H-purin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine;bis(2-fluoro-N-[(2-methylphenyl)methyl]-7H-purin-6-amine);2-fluoro-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;methane (CID 157143280) is 2-[6-(benzylamino)-2-fluoropurin-9-yl]ethanol;N-benzyl-2-fluoro-7H-purin-6-amine;N-benzyl-9-methylpurin-6-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-benzyl-7H-purin-6-amine;N-[(4-chlorophenyl)methyl]-2-fluoro-7H-purin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine;bis(2-fluoro-N-[(2-methylphenyl)methyl]-7H-purin-6-amine);2-fluoro-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;methane.
What is the SMILES notation for 2-[6-(benzylamino)-2-fluoropurin-9-yl]ethanol;N-benzyl-2-fluoro-7H-purin-6-amine;N-benzyl-9-methylpurin-6-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-benzyl-7H-purin-6-amine;N-[(4-chlorophenyl)methyl]-2-fluoro-7H-purin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine;bis(2-fluoro-N-[(2-methylphenyl)methyl]-7H-purin-6-amine);2-fluoro-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;methane?
The canonical SMILES for 2-[6-(benzylamino)-2-fluoropurin-9-yl]ethanol;N-benzyl-2-fluoro-7H-purin-6-amine;N-benzyl-9-methylpurin-6-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-benzyl-7H-purin-6-amine;N-[(4-chlorophenyl)methyl]-2-fluoro-7H-purin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine;bis(2-fluoro-N-[(2-methylphenyl)methyl]-7H-purin-6-amine);2-fluoro-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;methane is C.COc1ccccc1CNc1nc(F)nc2nc[nH]c12.Cc1ccccc1CNc1nc(F)nc2nc[nH]c12.Cc1ccccc1CNc1nc(F)nc2nc[nH]c12.Cn1cnc2c(NCc3ccccc3)nc(N)nc21.Cn1cnc2c(NCc3ccccc3)ncnc21.Fc1nc(NCc2ccc(Cl)cc2)c2[nH]cnc2n1.Fc1nc(NCc2ccccc2)c2[nH]cnc2n1.Fc1nc(NCc2cccnc2)c2[nH]cnc2n1.OCCn1cnc2c(NCc3ccccc3)nc(F)nc21.c1ccc(CNc2ncnc3nc[nH]c23)cc1.
What is the InChIKey of 2-[6-(benzylamino)-2-fluoropurin-9-yl]ethanol;N-benzyl-2-fluoro-7H-purin-6-amine;N-benzyl-9-methylpurin-6-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-benzyl-7H-purin-6-amine;N-[(4-chlorophenyl)methyl]-2-fluoro-7H-purin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine;bis(2-fluoro-N-[(2-methylphenyl)methyl]-7H-purin-6-amine);2-fluoro-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;methane?
The InChIKey is AKKQKAYYMIYSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O.C13H12FN5O.2C13H12FN5.C13H14N6.C13H13N5.C12H9ClFN5.C12H10FN5.C12H11N5.C11H9FN6.CH4/c15-14-18-12(16-8-10-4-2-1-3-5-10)11-13(19-14)20(6-7-21)9-17-11;1-20-9-5-3-2-4-8(9)6-15-11-10-12(17-7-16-10)19-13(14)18-11;2*1-8-4-2-3-5-9(8)6-15-11-10-12(17-7-16-10)19-13(14)18-11;1-19-8-16-10-11(17-13(14)18-12(10)19)15-7-9-5-3-2-4-6-9;1-18-9-17-11-12(15-8-16-13(11)18)14-7-10-5-3-2-4-6-10;13-8-3-1-7(2-4-8)5-15-10-9-11(17-6-16-9)19-12(14)18-10;13-12-17-10(9-11(18-12)16-7-15-9)14-6-8-4-2-1-3-5-8;1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11;12-11-17-9(8-10(18-11)16-6-15-8)14-5-7-2-1-3-13-4-7;/h1-5,9,21H,6-8H2,(H,16,18,19);2-5,7H,6H2,1H3,(H2,15,16,17,18,19);2*2-5,7H,6H2,1H3,(H2,15,16,17,18,19);2-6,8H,7H2,1H3,(H3,14,15,17,18);2-6,8-9H,7H2,1H3,(H,14,15,16);1-4,6H,5H2,(H2,15,16,17,18,19);1-5,7H,6H2,(H2,14,15,16,17,18);1-5,7-8H,6H2,(H2,13,14,15,16,17);1-4,6H,5H2,(H2,14,15,16,17,18);1H4.
What are the key properties of 2-[6-(benzylamino)-2-fluoropurin-9-yl]ethanol;N-benzyl-2-fluoro-7H-purin-6-amine;N-benzyl-9-methylpurin-6-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-benzyl-7H-purin-6-amine;N-[(4-chlorophenyl)methyl]-2-fluoro-7H-purin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine;bis(2-fluoro-N-[(2-methylphenyl)methyl]-7H-purin-6-amine);2-fluoro-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;methane?
2-[6-(benzylamino)-2-fluoropurin-9-yl]ethanol;N-benzyl-2-fluoro-7H-purin-6-amine;N-benzyl-9-methylpurin-6-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-benzyl-7H-purin-6-amine;N-[(4-chlorophenyl)methyl]-2-fluoro-7H-purin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine;bis(2-fluoro-N-[(2-methylphenyl)methyl]-7H-purin-6-amine);2-fluoro-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;methane has a molecular weight of 2575.16 g/mol, XLogP of 21.00, 33 rotatable bonds, 19 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(benzylamino)-2-fluoropurin-9-yl]ethanol;N-benzyl-2-fluoro-7H-purin-6-amine;N-benzyl-9-methylpurin-6-amine;6-N-benzyl-9-methylpurine-2,6-diamine;N-benzyl-7H-purin-6-amine;N-[(4-chlorophenyl)methyl]-2-fluoro-7H-purin-6-amine;2-fluoro-N-[(2-methoxyphenyl)methyl]-7H-purin-6-amine;bis(2-fluoro-N-[(2-methylphenyl)methyl]-7H-purin-6-amine);2-fluoro-N-(pyridin-3-ylmethyl)-7H-purin-6-amine;methane is sourced from PubChem (CID 157143280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).