[4-[(6-amino-8-bromo-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-amino-2-butyl-8-methoxypurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(2-amino-6-chloropurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-chloro-2-iodopurin-9-yl)methyl]phenyl]methanol;6-chloro-7H-purin-2-amine

C115H120BrCl3I3N39O11 — CID 160598913

IUPAC[4-[(6-amino-8-bromo-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-amino-2-butyl-8-methoxypurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(2-amino-6-chloropurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-chloro-2-iodopurin-9-yl)methyl]phenyl]methanol;6-chloro-7H-purin-2-amine
SMILESCC(=O)OCc1ccc(Cn2cnc3c(N)nc(I)nc32)cc1.CCCCc1nc(N)c2nc(Br)n(Cc3ccc(COC(C)=O)cc3)c2n1.CCCCc1nc(N)c2nc(OC)n(Cc3ccc(CO)cc3)c2n1.CCCCc1nc(N)c2ncn(Cc3ccc(COC(C)=O)cc3)c2n1.Nc1nc(Cl)c2[nH]cnc2n1.Nc1nc(Cl)c2ncn(Cc3ccc(CO)cc3)c2n1.Nc1nc(I)nc2c1ncn2Cc1ccc(CO)cc1.OCc1ccc(Cn2cnc3c(Cl)nc(I)nc32)cc1
InChIInChI=1S/C19H22BrN5O2.C19H23N5O2.C18H23N5O2.C15H14IN5O2.C13H10ClIN4O.C13H12ClN5O.C13H12IN5O.C5H4ClN5/c1-3-4-5-15-22-17(21)16-18(23-15)25(19(20)24-16)10-13-6-8-14(9-7-13)11-27-12(2)26;1-3-4-5-16-22-18(20)17-19(23-16)24(12-21-17)10-14-6-8-15(9-7-14)11-26-13(2)25;1-3-4-5-14-20-16(19)15-17(21-14)23(18(22-15)25-2)10-12-6-8-13(11-24)9-7-12;1-9(22)23-7-11-4-2-10(3-5-11)6-21-8-18-12-13(17)19-15(16)20-14(12)21;2*14-11-10-12(18-13(15)17-11)19(7-16-10)5-8-1-3-9(6-20)4-2-8;14-13-17-11(15)10-12(18-13)19(7-16-10)5-8-1-3-9(6-20)4-2-8;6-3-2-4(9-1-8-2)11-5(7)10-3/h6-9H,3-5,10-11H2,1-2H3,(H2,21,22,23);6-9,12H,3-5,10-11H2,1-2H3,(H2,20,22,23);6-9,24H,3-5,10-11H2,1-2H3,(H2,19,20,21);2-5,8H,6-7H2,1H3,(H2,17,19,20);1-4,7,20H,5-6H2;2*1-4,7,20H,5-6H2,(H2,15,17,18);1H,(H3,7,8,9,10,11)
InChIKeyRDZXKIKXHVLTHV-UHFFFAOYSA-N
MW2791.46 g/mol
LogP17.28
Rot. Bonds34

About [4-[(6-amino-8-bromo-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-amino-2-butyl-8-methoxypurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(2-amino-6-chloropurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-chloro-2-iodopurin-9-yl)methyl]phenyl]methanol;6-chloro-7H-purin-2-amine

[4-[(6-amino-8-bromo-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-amino-2-butyl-8-methoxypurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(2-amino-6-chloropurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-chloro-2-iodopurin-9-yl)methyl]phenyl]methanol;6-chloro-7H-purin-2-amine (PubChem CID 160598913) has the molecular formula C115H120BrCl3I3N39O11 and a molecular weight of 2791.46 g/mol. Its IUPAC name is [4-[(6-amino-8-bromo-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-amino-2-butyl-8-methoxypurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(2-amino-6-chloropurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-chloro-2-iodopurin-9-yl)methyl]phenyl]methanol;6-chloro-7H-purin-2-amine.

Molecular Properties

Compound Name[4-[(6-amino-8-bromo-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-amino-2-butyl-8-methoxypurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(2-amino-6-chloropurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-chloro-2-iodopurin-9-yl)methyl]phenyl]methanol;6-chloro-7H-purin-2-amine
PubChem CID160598913
Molecular FormulaC115H120BrCl3I3N39O11
Molecular Weight2791.46 g/mol
Exact Mass2787.54
IUPAC Name[4-[(6-amino-8-bromo-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-amino-2-butyl-8-methoxypurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(2-amino-6-chloropurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-chloro-2-iodopurin-9-yl)methyl]phenyl]methanol;6-chloro-7H-purin-2-amine
SMILESCC(=O)OCc1ccc(Cn2cnc3c(N)nc(I)nc32)cc1.CCCCc1nc(N)c2nc(Br)n(Cc3ccc(COC(C)=O)cc3)c2n1.CCCCc1nc(N)c2nc(OC)n(Cc3ccc(CO)cc3)c2n1.CCCCc1nc(N)c2ncn(Cc3ccc(COC(C)=O)cc3)c2n1.Nc1nc(Cl)c2[nH]cnc2n1.Nc1nc(Cl)c2ncn(Cc3ccc(CO)cc3)c2n1.Nc1nc(I)nc2c1ncn2Cc1ccc(CO)cc1.OCc1ccc(Cn2cnc3c(Cl)nc(I)nc32)cc1
InChIInChI=1S/C19H22BrN5O2.C19H23N5O2.C18H23N5O2.C15H14IN5O2.C13H10ClIN4O.C13H12ClN5O.C13H12IN5O.C5H4ClN5/c1-3-4-5-15-22-17(21)16-18(23-15)25(19(20)24-16)10-13-6-8-14(9-7-13)11-27-12(2)26;1-3-4-5-16-22-18(20)17-19(23-16)24(12-21-17)10-14-6-8-15(9-7-14)11-26-13(2)25;1-3-4-5-14-20-16(19)15-17(21-14)23(18(22-15)25-2)10-12-6-8-13(11-24)9-7-12;1-9(22)23-7-11-4-2-10(3-5-11)6-21-8-18-12-13(17)19-15(16)20-14(12)21;2*14-11-10-12(18-13(15)17-11)19(7-16-10)5-8-1-3-9(6-20)4-2-8;14-13-17-11(15)10-12(18-13)19(7-16-10)5-8-1-3-9(6-20)4-2-8;6-3-2-4(9-1-8-2)11-5(7)10-3/h6-9H,3-5,10-11H2,1-2H3,(H2,21,22,23);6-9,12H,3-5,10-11H2,1-2H3,(H2,20,22,23);6-9,24H,3-5,10-11H2,1-2H3,(H2,19,20,21);2-5,8H,6-7H2,1H3,(H2,17,19,20);1-4,7,20H,5-6H2;2*1-4,7,20H,5-6H2,(H2,15,17,18);1H,(H3,7,8,9,10,11)
InChIKeyRDZXKIKXHVLTHV-UHFFFAOYSA-N
XLogP17.28
TPSA710.85 Ų
H-Bond Donors12
H-Bond Acceptors49
Rotatable Bonds34
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002791.46
LogP ≤ 517.28
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze [4-[(6-amino-8-bromo-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-amino-2-butyl-8-methoxypurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(2-amino-6-chloropurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-chloro-2-iodopurin-9-yl)methyl]phenyl]methanol;6-chloro-7H-purin-2-amine with MolForge

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Related Compounds

[4-[(6-amino-8-bromo-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-amino-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(2-amino-6-chloropurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-chloro-2-iodopurin-9-yl)methyl]phenyl]methanol;6-chloro-7H-purin-2-amine
CID 157665234
4-[[6-amino-8-bromo-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;4-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;4-[[6-amino-8-methoxy-2-(2-methoxyethoxy)purin-9-yl]methyl]benzoic acid;4-[[6-chloro-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;2,6-dichloro-7H-purine;4-[(2,6-dichloropurin-9-yl)methyl]benzonitrile
CID 158388727
4-[[6-amino-8-bromo-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;4-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;4-[[6-amino-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;4-[[6-amino-8-methoxy-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;2,6-dichloro-7H-purine;4-[(2,6-dichloropurin-9-yl)methyl]benzonitrile;methane;methyl 4-[[6-amino-8-methoxy-2-(2-methoxyethoxy)purin-9-yl]methyl]benzoate;molecular bromine
CID 159331518
4-[[6-amino-8-bromo-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;4-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;4-[[6-amino-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;4-[[6-amino-8-methoxy-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;2,6-dichloro-7H-purine;4-[(2,6-dichloropurin-9-yl)methyl]benzonitrile;methyl 4-[[6-amino-8-methoxy-2-(2-methoxyethoxy)purin-9-yl]methyl]benzoate;molecular bromine
CID 159622245
4-[[6-amino-8-bromo-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;4-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;4-[[6-amino-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;4-[[6-amino-8-methoxy-2-(2-methoxyethoxy)purin-9-yl]methyl]benzoic acid;2,6-dichloro-7H-purine;4-[(2,6-dichloropurin-9-yl)methyl]benzonitrile
CID 159701438
[4-[[6-amino-8-bromo-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;6-amino-9-[[4-(chloromethyl)phenyl]methyl]-2-(pyridin-4-ylmethylamino)-7H-purin-8-one;[4-[(6-amino-2-chloropurin-9-yl)methyl]phenyl]methanol;6-amino-9-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-4-ylmethylamino)-7H-purin-8-one;[4-[[6-amino-8-methoxy-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;[4-[[6-amino-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;2-chloro-7H-purin-6-amine
CID 160243872
4-[[6-amino-8-bromo-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;4-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;4-[[4-amino-2-(2-methoxyethoxy)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzoic acid;4-[[6-amino-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;4-[[6-amino-8-methoxy-2-(2-methoxyethoxy)purin-9-yl]methyl]benzoic acid;2,6-dichloro-7H-purine;4-[(2,6-dichloropurin-9-yl)methyl]benzonitrile
CID 160482788
[4-[[6-amino-8-bromo-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;4-amino-7-[[4-(chloromethyl)phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-chloropurin-9-yl)methyl]phenyl]methanol;4-amino-7-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[[6-amino-8-methoxy-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;[4-[[6-amino-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;2,6-dichloro-7H-purine
CID 161076891
4-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]ethyl]benzoic acid;[4-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]ethyl]phenyl]-(4-methylpiperazin-1-yl)methanone;2,6-dichloro-7H-purine;methane;methyl 4-[2-[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]ethyl]benzoate;methyl 4-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]ethyl]benzoate;methyl 4-(2-bromoethyl)benzoate;methyl 4-[2-(2,6-dichloropurin-9-yl)ethyl]benzoate
CID 161449393
4-[[6-amino-8-bromo-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;4-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;4-[[6-amino-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;4-[[6-amino-8-methoxy-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;2,6-dichloro-7H-purine;4-[(2,6-dichloropurin-9-yl)methyl]benzonitrile;iodo(trimethyl)silane;methane;bis(methyl 4-[[6-amino-8-methoxy-2-(2-methoxyethoxy)purin-9-yl]methyl]benzoate);molecular bromine
CID 162038298
6-amino-9-[[4-(aminomethyl)phenyl]methyl]-2-butoxy-7H-purin-8-one;N-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]methyl]-2-aminooxyacetamide;tert-butyl N-[[4-[(6-amino-8-bromo-2-butoxypurin-9-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[(6-amino-8-bromo-2-chloropurin-9-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[(6-amino-2-butoxypurin-9-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-[(6-amino-2-chloropurin-9-yl)methyl]phenyl]methyl]carbamate;tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]carbamate;2,6-dichloro-7H-purine;(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetate
CID 165015624
sodium;4-amino-2-butoxy-7-[[4-(chloromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-butoxy-8-methoxypurin-9-yl)methyl]phenyl]methanol;8-bromo-2-butoxy-7H-purin-6-amine;butan-1-olate;2-butoxy-8-methoxy-7H-purin-6-amine;2-butoxy-9-(oxan-2-yl)purin-6-amine
CID 165027324

Frequently Asked Questions

What is the IUPAC name of [4-[(6-amino-8-bromo-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-amino-2-butyl-8-methoxypurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(2-amino-6-chloropurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-chloro-2-iodopurin-9-yl)methyl]phenyl]methanol;6-chloro-7H-purin-2-amine?
The IUPAC name of [4-[(6-amino-8-bromo-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-amino-2-butyl-8-methoxypurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(2-amino-6-chloropurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-chloro-2-iodopurin-9-yl)methyl]phenyl]methanol;6-chloro-7H-purin-2-amine (CID 160598913) is [4-[(6-amino-8-bromo-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-amino-2-butyl-8-methoxypurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(2-amino-6-chloropurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-chloro-2-iodopurin-9-yl)methyl]phenyl]methanol;6-chloro-7H-purin-2-amine.
What is the SMILES notation for [4-[(6-amino-8-bromo-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-amino-2-butyl-8-methoxypurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(2-amino-6-chloropurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-chloro-2-iodopurin-9-yl)methyl]phenyl]methanol;6-chloro-7H-purin-2-amine?
The canonical SMILES for [4-[(6-amino-8-bromo-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-amino-2-butyl-8-methoxypurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(2-amino-6-chloropurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-chloro-2-iodopurin-9-yl)methyl]phenyl]methanol;6-chloro-7H-purin-2-amine is CC(=O)OCc1ccc(Cn2cnc3c(N)nc(I)nc32)cc1.CCCCc1nc(N)c2nc(Br)n(Cc3ccc(COC(C)=O)cc3)c2n1.CCCCc1nc(N)c2nc(OC)n(Cc3ccc(CO)cc3)c2n1.CCCCc1nc(N)c2ncn(Cc3ccc(COC(C)=O)cc3)c2n1.Nc1nc(Cl)c2[nH]cnc2n1.Nc1nc(Cl)c2ncn(Cc3ccc(CO)cc3)c2n1.Nc1nc(I)nc2c1ncn2Cc1ccc(CO)cc1.OCc1ccc(Cn2cnc3c(Cl)nc(I)nc32)cc1.
What is the InChIKey of [4-[(6-amino-8-bromo-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-amino-2-butyl-8-methoxypurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(2-amino-6-chloropurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-chloro-2-iodopurin-9-yl)methyl]phenyl]methanol;6-chloro-7H-purin-2-amine?
The InChIKey is RDZXKIKXHVLTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN5O2.C19H23N5O2.C18H23N5O2.C15H14IN5O2.C13H10ClIN4O.C13H12ClN5O.C13H12IN5O.C5H4ClN5/c1-3-4-5-15-22-17(21)16-18(23-15)25(19(20)24-16)10-13-6-8-14(9-7-13)11-27-12(2)26;1-3-4-5-16-22-18(20)17-19(23-16)24(12-21-17)10-14-6-8-15(9-7-14)11-26-13(2)25;1-3-4-5-14-20-16(19)15-17(21-14)23(18(22-15)25-2)10-12-6-8-13(11-24)9-7-12;1-9(22)23-7-11-4-2-10(3-5-11)6-21-8-18-12-13(17)19-15(16)20-14(12)21;2*14-11-10-12(18-13(15)17-11)19(7-16-10)5-8-1-3-9(6-20)4-2-8;14-13-17-11(15)10-12(18-13)19(7-16-10)5-8-1-3-9(6-20)4-2-8;6-3-2-4(9-1-8-2)11-5(7)10-3/h6-9H,3-5,10-11H2,1-2H3,(H2,21,22,23);6-9,12H,3-5,10-11H2,1-2H3,(H2,20,22,23);6-9,24H,3-5,10-11H2,1-2H3,(H2,19,20,21);2-5,8H,6-7H2,1H3,(H2,17,19,20);1-4,7,20H,5-6H2;2*1-4,7,20H,5-6H2,(H2,15,17,18);1H,(H3,7,8,9,10,11).
What are the key properties of [4-[(6-amino-8-bromo-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-amino-2-butyl-8-methoxypurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(2-amino-6-chloropurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-chloro-2-iodopurin-9-yl)methyl]phenyl]methanol;6-chloro-7H-purin-2-amine?
[4-[(6-amino-8-bromo-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-amino-2-butyl-8-methoxypurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(2-amino-6-chloropurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-chloro-2-iodopurin-9-yl)methyl]phenyl]methanol;6-chloro-7H-purin-2-amine has a molecular weight of 2791.46 g/mol, XLogP of 17.28, 34 rotatable bonds, 12 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-amino-8-bromo-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-amino-2-butyl-8-methoxypurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-butylpurin-9-yl)methyl]phenyl]methyl acetate;[4-[(2-amino-6-chloropurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methanol;[4-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]methyl acetate;[4-[(6-chloro-2-iodopurin-9-yl)methyl]phenyl]methanol;6-chloro-7H-purin-2-amine is sourced from PubChem (CID 160598913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).