2-chloro-6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-7H-purine-6,8-diamine;2-chloro-N-(furan-2-ylmethyl)-7-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-9-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-propan-2-yloxy-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine

C59H56Cl5F3N26O7 — CID 159230109

IUPAC2-chloro-6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-7H-purine-6,8-diamine;2-chloro-N-(furan-2-ylmethyl)-7-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-9-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-propan-2-yloxy-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine
SMILESCC(C)Oc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.CN(C)c1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.Cn1cnc2c(NCc3ccco3)nc(Cl)nc21.Cn1cnc2nc(Cl)nc(NCc3ccco3)c21.FC(F)(F)COc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1
InChIInChI=1S/C13H14ClN5O2.C12H9ClF3N5O2.C12H13ClN6O.2C11H10ClN5O/c1-7(2)21-13-16-9-10(15-6-8-4-3-5-20-8)17-12(14)18-11(9)19-13;13-10-19-8(17-4-6-2-1-3-22-6)7-9(20-10)21-11(18-7)23-5-12(14,15)16;1-19(2)12-15-8-9(14-6-7-4-3-5-20-7)16-11(13)17-10(8)18-12;1-17-6-14-10-8(17)9(15-11(12)16-10)13-5-7-3-2-4-18-7;1-17-6-14-8-9(15-11(12)16-10(8)17)13-5-7-3-2-4-18-7/h3-5,7H,6H2,1-2H3,(H2,15,16,17,18,19);1-3H,4-5H2,(H2,17,18,19,20,21);3-5H,6H2,1-2H3,(H2,14,15,16,17,18);2*2-4,6H,5H2,1H3,(H,13,15,16)
InChIKeyKSUGBWIKKVDLPZ-UHFFFAOYSA-N
MW1475.53 g/mol
LogP12.87
Rot. Bonds20

About 2-chloro-6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-7H-purine-6,8-diamine;2-chloro-N-(furan-2-ylmethyl)-7-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-9-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-propan-2-yloxy-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine

2-chloro-6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-7H-purine-6,8-diamine;2-chloro-N-(furan-2-ylmethyl)-7-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-9-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-propan-2-yloxy-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine (PubChem CID 159230109) has the molecular formula C59H56Cl5F3N26O7 and a molecular weight of 1475.53 g/mol. Its IUPAC name is 2-chloro-6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-7H-purine-6,8-diamine;2-chloro-N-(furan-2-ylmethyl)-7-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-9-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-propan-2-yloxy-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-7H-purine-6,8-diamine;2-chloro-N-(furan-2-ylmethyl)-7-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-9-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-propan-2-yloxy-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine
PubChem CID159230109
Molecular FormulaC59H56Cl5F3N26O7
Molecular Weight1475.53 g/mol
Exact Mass1472.32
IUPAC Name2-chloro-6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-7H-purine-6,8-diamine;2-chloro-N-(furan-2-ylmethyl)-7-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-9-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-propan-2-yloxy-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine
SMILESCC(C)Oc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.CN(C)c1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.Cn1cnc2c(NCc3ccco3)nc(Cl)nc21.Cn1cnc2nc(Cl)nc(NCc3ccco3)c21.FC(F)(F)COc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1
InChIInChI=1S/C13H14ClN5O2.C12H9ClF3N5O2.C12H13ClN6O.2C11H10ClN5O/c1-7(2)21-13-16-9-10(15-6-8-4-3-5-20-8)17-12(14)18-11(9)19-13;13-10-19-8(17-4-6-2-1-3-22-6)7-9(20-10)21-11(18-7)23-5-12(14,15)16;1-19(2)12-15-8-9(14-6-7-4-3-5-20-7)16-11(13)17-10(8)18-12;1-17-6-14-10-8(17)9(15-11(12)16-10)13-5-7-3-2-4-18-7;1-17-6-14-8-9(15-11(12)16-10(8)17)13-5-7-3-2-4-18-7/h3-5,7H,6H2,1-2H3,(H2,15,16,17,18,19);1-3H,4-5H2,(H2,17,18,19,20,21);3-5H,6H2,1-2H3,(H2,14,15,16,17,18);2*2-4,6H,5H2,1H3,(H,13,15,16)
InChIKeyKSUGBWIKKVDLPZ-UHFFFAOYSA-N
XLogP12.87
TPSA398.13 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001475.53
LogP ≤ 512.87
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Analyze 2-chloro-6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-7H-purine-6,8-diamine;2-chloro-N-(furan-2-ylmethyl)-7-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-9-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-propan-2-yloxy-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine with MolForge

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Related Compounds

2-[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-8-yl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine
CID 123488303
N-[(5-methylfuran-2-yl)methyl]-8-[6-[[5-(trifluoromethyl)furan-2-yl]methylamino]-7H-purin-1-ium-1-yl]-7H-purin-6-amine
CID 123896134
2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;2-chloro-N-(furan-2-ylmethyl)-5-(methoxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(furan-2-ylmethyl)-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 158085074
N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine;5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine
CID 158152435
2-chloro-8-(2,2-difluoroethoxy)-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;1-[2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]pyrrolidin-2-one;2-chloro-N-(furan-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine;N-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]acetamide;3-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]-1,3-oxazolidin-2-one
CID 159287317
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
2-chloro-N-(furan-2-ylmethyl)-8-methoxy-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-propan-2-yloxy-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine
CID 160248012
2-chloro-8-(2,2-difluoropropoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-[(2-chloro-8-propoxy-7H-purin-6-yl)-(1,3-thiazol-2-ylmethyl)amino]ethanol;2-chloro-8-propoxy-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine
CID 161163561
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
6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-2,7-dihydropurin-2-ide-6,8-diamine;N-(furan-2-ylmethyl)-7-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-9-methyl-2H-purin-2-id-6-amine;N-(furan-2-ylmethyl)-8-propan-2-yloxy-2,7-dihydropurin-2-id-6-amine;N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-2,7-dihydropurin-2-id-6-amine;pentakis(yttrium)
CID 161386222
N,N-bis(furan-2-ylmethyl)-2-(trifluoromethyl)-7H-purin-6-amine
CID 133530120
N-(furan-2-ylmethyl)-9-[6-[6-(furan-2-ylmethylamino)purin-9-yl]hexyl]purin-6-amine
CID 319138

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-7H-purine-6,8-diamine;2-chloro-N-(furan-2-ylmethyl)-7-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-9-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-propan-2-yloxy-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine?
The IUPAC name of 2-chloro-6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-7H-purine-6,8-diamine;2-chloro-N-(furan-2-ylmethyl)-7-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-9-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-propan-2-yloxy-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine (CID 159230109) is 2-chloro-6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-7H-purine-6,8-diamine;2-chloro-N-(furan-2-ylmethyl)-7-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-9-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-propan-2-yloxy-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-7H-purine-6,8-diamine;2-chloro-N-(furan-2-ylmethyl)-7-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-9-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-propan-2-yloxy-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine?
The canonical SMILES for 2-chloro-6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-7H-purine-6,8-diamine;2-chloro-N-(furan-2-ylmethyl)-7-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-9-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-propan-2-yloxy-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine is CC(C)Oc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.CN(C)c1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.Cn1cnc2c(NCc3ccco3)nc(Cl)nc21.Cn1cnc2nc(Cl)nc(NCc3ccco3)c21.FC(F)(F)COc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.
What is the InChIKey of 2-chloro-6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-7H-purine-6,8-diamine;2-chloro-N-(furan-2-ylmethyl)-7-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-9-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-propan-2-yloxy-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine?
The InChIKey is KSUGBWIKKVDLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O2.C12H9ClF3N5O2.C12H13ClN6O.2C11H10ClN5O/c1-7(2)21-13-16-9-10(15-6-8-4-3-5-20-8)17-12(14)18-11(9)19-13;13-10-19-8(17-4-6-2-1-3-22-6)7-9(20-10)21-11(18-7)23-5-12(14,15)16;1-19(2)12-15-8-9(14-6-7-4-3-5-20-7)16-11(13)17-10(8)18-12;1-17-6-14-10-8(17)9(15-11(12)16-10)13-5-7-3-2-4-18-7;1-17-6-14-8-9(15-11(12)16-10(8)17)13-5-7-3-2-4-18-7/h3-5,7H,6H2,1-2H3,(H2,15,16,17,18,19);1-3H,4-5H2,(H2,17,18,19,20,21);3-5H,6H2,1-2H3,(H2,14,15,16,17,18);2*2-4,6H,5H2,1H3,(H,13,15,16).
What are the key properties of 2-chloro-6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-7H-purine-6,8-diamine;2-chloro-N-(furan-2-ylmethyl)-7-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-9-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-propan-2-yloxy-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine?
2-chloro-6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-7H-purine-6,8-diamine;2-chloro-N-(furan-2-ylmethyl)-7-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-9-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-propan-2-yloxy-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine has a molecular weight of 1475.53 g/mol, XLogP of 12.87, 20 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-7H-purine-6,8-diamine;2-chloro-N-(furan-2-ylmethyl)-7-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-9-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-propan-2-yloxy-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine is sourced from PubChem (CID 159230109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).