2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine;4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylperoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-N-methylpurin-2-amine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylsulfanylpurine

C107H95ClN26O15S3 — CID 158847481

IUPAC2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine;4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylperoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-N-methylpurin-2-amine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylsulfanylpurine
SMILESCN(C)c1nc(-c2ccco2)c2ncn(Cc3ccc(O)cc3)c2n1.CNc1nc(-c2ccco2)c2ncn(Cc3ccc(OC)cc3)c2n1.COOSc1nc(-c2ccco2)c2ncn(Cc3ccc(OC)cc3)c2n1.COSc1nc(-c2ccco2)c2ncn(Cc3ccc(OC)cc3)c2n1.COc1ccc(Cn2cnc3c(-c4ccco4)nc(Cl)nc32)cc1.COc1ccc(Cn2cnc3c(-c4ccco4)nc(SC)nc32)cc1
InChIInChI=1S/2C18H17N5O2.C18H16N4O4S.C18H16N4O3S.C18H16N4O2S.C17H13ClN4O2/c1-22(2)18-20-15(14-4-3-9-25-14)16-17(21-18)23(11-19-16)10-12-5-7-13(24)8-6-12;1-19-18-21-15(14-4-3-9-25-14)16-17(22-18)23(11-20-16)10-12-5-7-13(24-2)8-6-12;1-23-13-7-5-12(6-8-13)10-22-11-19-16-15(14-4-3-9-25-14)20-18(21-17(16)22)27-26-24-2;1-23-13-7-5-12(6-8-13)10-22-11-19-16-15(14-4-3-9-25-14)20-18(26-24-2)21-17(16)22;1-23-13-7-5-12(6-8-13)10-22-11-19-16-15(14-4-3-9-24-14)20-18(25-2)21-17(16)22;1-23-12-6-4-11(5-7-12)9-22-10-19-15-14(13-3-2-8-24-13)20-17(18)21-16(15)22/h3-9,11,24H,10H2,1-2H3;3-9,11H,10H2,1-2H3,(H,19,21,22);3-9,11H,10H2,1-2H3;3-9,11H,10H2,1-2H3;3-9,11H,10H2,1-2H3;2-8,10H,9H2,1H3
InChIKeyIZADBVWYHCPUOF-UHFFFAOYSA-N
MW2116.76 g/mol
LogP21.28
Rot. Bonds31

About 2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine;4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylperoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-N-methylpurin-2-amine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylsulfanylpurine

2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine;4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylperoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-N-methylpurin-2-amine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylsulfanylpurine (PubChem CID 158847481) has the molecular formula C107H95ClN26O15S3 and a molecular weight of 2116.76 g/mol. Its IUPAC name is 2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine;4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylperoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-N-methylpurin-2-amine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylsulfanylpurine.

Molecular Properties

Compound Name2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine;4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylperoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-N-methylpurin-2-amine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylsulfanylpurine
PubChem CID158847481
Molecular FormulaC107H95ClN26O15S3
Molecular Weight2116.76 g/mol
Exact Mass2114.63
IUPAC Name2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine;4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylperoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-N-methylpurin-2-amine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylsulfanylpurine
SMILESCN(C)c1nc(-c2ccco2)c2ncn(Cc3ccc(O)cc3)c2n1.CNc1nc(-c2ccco2)c2ncn(Cc3ccc(OC)cc3)c2n1.COOSc1nc(-c2ccco2)c2ncn(Cc3ccc(OC)cc3)c2n1.COSc1nc(-c2ccco2)c2ncn(Cc3ccc(OC)cc3)c2n1.COc1ccc(Cn2cnc3c(-c4ccco4)nc(Cl)nc32)cc1.COc1ccc(Cn2cnc3c(-c4ccco4)nc(SC)nc32)cc1
InChIInChI=1S/2C18H17N5O2.C18H16N4O4S.C18H16N4O3S.C18H16N4O2S.C17H13ClN4O2/c1-22(2)18-20-15(14-4-3-9-25-14)16-17(21-18)23(11-19-16)10-12-5-7-13(24)8-6-12;1-19-18-21-15(14-4-3-9-25-14)16-17(22-18)23(11-20-16)10-12-5-7-13(24-2)8-6-12;1-23-13-7-5-12(6-8-13)10-22-11-19-16-15(14-4-3-9-25-14)20-18(21-17(16)22)27-26-24-2;1-23-13-7-5-12(6-8-13)10-22-11-19-16-15(14-4-3-9-25-14)20-18(26-24-2)21-17(16)22;1-23-13-7-5-12(6-8-13)10-22-11-19-16-15(14-4-3-9-24-14)20-18(25-2)21-17(16)22;1-23-12-6-4-11(5-7-12)9-22-10-19-15-14(13-3-2-8-24-13)20-17(18)21-16(15)22/h3-9,11,24H,10H2,1-2H3;3-9,11H,10H2,1-2H3,(H,19,21,22);3-9,11H,10H2,1-2H3;3-9,11H,10H2,1-2H3;3-9,11H,10H2,1-2H3;2-8,10H,9H2,1H3
InChIKeyIZADBVWYHCPUOF-UHFFFAOYSA-N
XLogP21.28
TPSA449.78 Ų
H-Bond Donors2
H-Bond Acceptors44
Rotatable Bonds31
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002116.76
LogP ≤ 521.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine;4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylperoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-N-methylpurin-2-amine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylsulfanylpurine 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

6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-2-(trifluoromethyl)-7H-purine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine
CID 158927530
2-Chloro-6-(2-furyl)-9-(4-methoxybenzyl)-9h-purine
CID 139060115
6-chloro-9-[(4-methoxyphenyl)methyl]-2-nitropurine;6-chloro-9-[(4-methoxyphenyl)methyl]purine;2-fluoro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine;6-(furan-2-yl)-9-[(4-hydroxyphenyl)methyl]-1H-purin-2-one;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-nitropurine;4-[[6-(furan-2-yl)-2-methylpurin-9-yl]methyl]phenol
CID 157599601
8-Benzyl-6-(3,4-difluorophenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-ethyl-6-phenylimidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(furan-2-yl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-[(4-hydroxyphenyl)methyl]-6-pyridin-4-ylimidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol
CID 158292600
8-Benzyl-6-(3,4-difluorophenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(furan-2-yl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-[(4-hydroxyphenyl)methyl]-6-pyridin-4-ylimidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol
CID 159250451
6-Chloro-9-[(4-methoxyphenyl)methyl]-2-prop-1-ynylpurine;6-(furan-2-yl)-2-iodo-9-[(4-methylphenyl)methyl]purine;4-[[6-(furan-2-yl)-2-prop-1-ynylpurin-9-yl]methyl]phenol;9-[(4-methoxyphenyl)methyl]-2,6-bis(prop-1-ynyl)purine
CID 159458978
8-Benzyl-6-(3,4-difluorophenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-ethyl-6-phenylimidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(furan-2-yl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-phenyl-2-propylimidazo[1,2-a]pyrazin-3-ol
CID 159853368
6-chloro-2-fluoro-9-[(4-methoxyphenyl)methyl]purine;6-chloro-2-fluoro-7-[(4-methoxyphenyl)methyl]-9H-purin-7-ium;6-chloro-2-fluoro-7H-purine;6-chloro-9-[(4-methoxyphenyl)methyl]purin-2-amine;6-chloro-7-[(4-methoxyphenyl)methyl]-9H-purin-7-ium-2-amine;6-chloro-7H-purin-2-amine;2-fluoro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine;methane
CID 160285567
6-chloro-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine;7-chloro-3-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidine;7-(furan-2-yl)-3-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidine
CID 160445323
6-chloro-9-[(4-methoxyphenyl)methyl]purine;6-chloro-9-[(4-methoxyphenyl)methyl]-8H-purin-8-ide;6-(furan-2-yl)-8-methoxy-9-[(4-methoxyphenyl)methyl]purine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-8H-purin-8-ide;6-(furan-2-yl)-9-[(4-methylphenyl)methyl]-7H-purin-8-one;methane;9-[(4-methoxyphenyl)methyl]-6-(5-methylfuran-2-yl)-8H-purin-8-ide;tris(yttrium)
CID 161507681

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine;4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylperoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-N-methylpurin-2-amine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylsulfanylpurine?
The IUPAC name of 2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine;4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylperoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-N-methylpurin-2-amine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylsulfanylpurine (CID 158847481) is 2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine;4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylperoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-N-methylpurin-2-amine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylsulfanylpurine.
What is the SMILES notation for 2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine;4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylperoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-N-methylpurin-2-amine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylsulfanylpurine?
The canonical SMILES for 2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine;4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylperoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-N-methylpurin-2-amine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylsulfanylpurine is CN(C)c1nc(-c2ccco2)c2ncn(Cc3ccc(O)cc3)c2n1.CNc1nc(-c2ccco2)c2ncn(Cc3ccc(OC)cc3)c2n1.COOSc1nc(-c2ccco2)c2ncn(Cc3ccc(OC)cc3)c2n1.COSc1nc(-c2ccco2)c2ncn(Cc3ccc(OC)cc3)c2n1.COc1ccc(Cn2cnc3c(-c4ccco4)nc(Cl)nc32)cc1.COc1ccc(Cn2cnc3c(-c4ccco4)nc(SC)nc32)cc1.
What is the InChIKey of 2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine;4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylperoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-N-methylpurin-2-amine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylsulfanylpurine?
The InChIKey is IZADBVWYHCPUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H17N5O2.C18H16N4O4S.C18H16N4O3S.C18H16N4O2S.C17H13ClN4O2/c1-22(2)18-20-15(14-4-3-9-25-14)16-17(21-18)23(11-19-16)10-12-5-7-13(24)8-6-12;1-19-18-21-15(14-4-3-9-25-14)16-17(22-18)23(11-20-16)10-12-5-7-13(24-2)8-6-12;1-23-13-7-5-12(6-8-13)10-22-11-19-16-15(14-4-3-9-25-14)20-18(21-17(16)22)27-26-24-2;1-23-13-7-5-12(6-8-13)10-22-11-19-16-15(14-4-3-9-25-14)20-18(26-24-2)21-17(16)22;1-23-13-7-5-12(6-8-13)10-22-11-19-16-15(14-4-3-9-24-14)20-18(25-2)21-17(16)22;1-23-12-6-4-11(5-7-12)9-22-10-19-15-14(13-3-2-8-24-13)20-17(18)21-16(15)22/h3-9,11,24H,10H2,1-2H3;3-9,11H,10H2,1-2H3,(H,19,21,22);3-9,11H,10H2,1-2H3;3-9,11H,10H2,1-2H3;3-9,11H,10H2,1-2H3;2-8,10H,9H2,1H3.
What are the key properties of 2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine;4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylperoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-N-methylpurin-2-amine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylsulfanylpurine?
2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine;4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylperoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-N-methylpurin-2-amine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylsulfanylpurine has a molecular weight of 2116.76 g/mol, XLogP of 21.28, 31 rotatable bonds, 2 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]purine;4-[[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]methyl]phenol;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylperoxysulfanylpurine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-N-methylpurin-2-amine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-methylsulfanylpurine is sourced from PubChem (CID 158847481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).