8-butoxy-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-7-methyl-N-(pyridin-4-ylmethyl)purin-6-amine;2-[2-chloro-8-propoxy-6-(1,3-thiazol-2-ylmethylamino)purin-9-yl]ethanol;2-[[2-chloro-6-(pyrimidin-4-ylmethylamino)-7H-purin-8-yl]oxy]ethanol;2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol

C63H67Cl5N30O8S2 — CID 158280182

IUPAC8-butoxy-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-7-methyl-N-(pyridin-4-ylmethyl)purin-6-amine;2-[2-chloro-8-propoxy-6-(1,3-thiazol-2-ylmethylamino)purin-9-yl]ethanol;2-[[2-chloro-6-(pyrimidin-4-ylmethylamino)-7H-purin-8-yl]oxy]ethanol;2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol
SMILESCCCCOc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.CCCOc1nc2c(NCc3nccs3)nc(Cl)nc2n1CCO.Cn1cnc2nc(Cl)nc(NCc3ccncc3)c21.OCCOc1nc2nc(Cl)nc(NCc3ccncn3)c2[nH]1.OCCOc1nc2nc(Cl)nc(NCc3nccs3)c2[nH]1
InChIInChI=1S/C14H17ClN6O2S.C14H16ClN5O2.C12H12ClN7O2.C12H11ClN6.C11H11ClN6O2S/c1-2-6-23-14-18-10-11(17-8-9-16-3-7-24-9)19-13(15)20-12(10)21(14)4-5-22;1-2-3-6-22-14-17-10-11(16-8-9-5-4-7-21-9)18-13(15)19-12(10)20-14;13-11-18-9(15-5-7-1-2-14-6-16-7)8-10(19-11)20-12(17-8)22-4-3-21;1-19-7-16-11-9(19)10(17-12(13)18-11)15-6-8-2-4-14-5-3-8;12-10-16-8(14-5-6-13-1-4-21-6)7-9(17-10)18-11(15-7)20-3-2-19/h3,7,22H,2,4-6,8H2,1H3,(H,17,19,20);4-5,7H,2-3,6,8H2,1H3,(H2,16,17,18,19,20);1-2,6,21H,3-5H2,(H2,15,17,18,19,20);2-5,7H,6H2,1H3,(H,15,17,18);1,4,19H,2-3,5H2,(H2,14,15,16,17,18)
InChIKeyGKCRAAWOVDCFBW-UHFFFAOYSA-N
MW1613.83 g/mol
LogP9.97
Rot. Bonds30

About 8-butoxy-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-7-methyl-N-(pyridin-4-ylmethyl)purin-6-amine;2-[2-chloro-8-propoxy-6-(1,3-thiazol-2-ylmethylamino)purin-9-yl]ethanol;2-[[2-chloro-6-(pyrimidin-4-ylmethylamino)-7H-purin-8-yl]oxy]ethanol;2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol

8-butoxy-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-7-methyl-N-(pyridin-4-ylmethyl)purin-6-amine;2-[2-chloro-8-propoxy-6-(1,3-thiazol-2-ylmethylamino)purin-9-yl]ethanol;2-[[2-chloro-6-(pyrimidin-4-ylmethylamino)-7H-purin-8-yl]oxy]ethanol;2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol (PubChem CID 158280182) has the molecular formula C63H67Cl5N30O8S2 and a molecular weight of 1613.83 g/mol. Its IUPAC name is 8-butoxy-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-7-methyl-N-(pyridin-4-ylmethyl)purin-6-amine;2-[2-chloro-8-propoxy-6-(1,3-thiazol-2-ylmethylamino)purin-9-yl]ethanol;2-[[2-chloro-6-(pyrimidin-4-ylmethylamino)-7H-purin-8-yl]oxy]ethanol;2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol.

Molecular Properties

Compound Name8-butoxy-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-7-methyl-N-(pyridin-4-ylmethyl)purin-6-amine;2-[2-chloro-8-propoxy-6-(1,3-thiazol-2-ylmethylamino)purin-9-yl]ethanol;2-[[2-chloro-6-(pyrimidin-4-ylmethylamino)-7H-purin-8-yl]oxy]ethanol;2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol
PubChem CID158280182
Molecular FormulaC63H67Cl5N30O8S2
Molecular Weight1613.83 g/mol
Exact Mass1610.36
IUPAC Name8-butoxy-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-7-methyl-N-(pyridin-4-ylmethyl)purin-6-amine;2-[2-chloro-8-propoxy-6-(1,3-thiazol-2-ylmethylamino)purin-9-yl]ethanol;2-[[2-chloro-6-(pyrimidin-4-ylmethylamino)-7H-purin-8-yl]oxy]ethanol;2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol
SMILESCCCCOc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.CCCOc1nc2c(NCc3nccs3)nc(Cl)nc2n1CCO.Cn1cnc2nc(Cl)nc(NCc3ccncc3)c21.OCCOc1nc2nc(Cl)nc(NCc3ccncn3)c2[nH]1.OCCOc1nc2nc(Cl)nc(NCc3nccs3)c2[nH]1
InChIInChI=1S/C14H17ClN6O2S.C14H16ClN5O2.C12H12ClN7O2.C12H11ClN6.C11H11ClN6O2S/c1-2-6-23-14-18-10-11(17-8-9-16-3-7-24-9)19-13(15)20-12(10)21(14)4-5-22;1-2-3-6-22-14-17-10-11(16-8-9-5-4-7-21-9)18-13(15)19-12(10)20-14;13-11-18-9(15-5-7-1-2-14-6-16-7)8-10(19-11)20-12(17-8)22-4-3-21;1-19-7-16-11-9(19)10(17-12(13)18-11)15-6-8-2-4-14-5-3-8;12-10-16-8(14-5-6-13-1-4-21-6)7-9(17-10)18-11(15-7)20-3-2-19/h3,7,22H,2,4-6,8H2,1H3,(H,17,19,20);4-5,7H,2-3,6,8H2,1H3,(H2,16,17,18,19,20);1-2,6,21H,3-5H2,(H2,15,17,18,19,20);2-5,7H,6H2,1H3,(H,15,17,18);1,4,19H,2-3,5H2,(H2,14,15,16,17,18)
InChIKeyGKCRAAWOVDCFBW-UHFFFAOYSA-N
XLogP9.97
TPSA485.93 Ų
H-Bond Donors11
H-Bond Acceptors37
Rotatable Bonds30
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001613.83
LogP ≤ 59.97
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 8-butoxy-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-7-methyl-N-(pyridin-4-ylmethyl)purin-6-amine;2-[2-chloro-8-propoxy-6-(1,3-thiazol-2-ylmethylamino)purin-9-yl]ethanol;2-[[2-chloro-6-(pyrimidin-4-ylmethylamino)-7H-purin-8-yl]oxy]ethanol;2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol with MolForge

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Related Compounds

8-(azetidin-3-yloxy)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclopentylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;5-chloro-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-chloro-N-(pyrimidin-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-8-(1,3-thiazol-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine
CID 158402992
N-(furan-2-ylmethyl)-2-methyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-2-(trifluoromethyl)-7H-purin-6-amine;N-[(2-methylpyrazol-3-yl)methyl]-7H-purin-6-amine;4-[(7H-purin-6-ylamino)methyl]benzonitrile;N-(1,3-thiazol-5-ylmethyl)-7H-purin-6-amine
CID 159208500
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
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
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-[(3,3-difluorocyclobutyl)methoxy]-N-(thiophen-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(2,2-difluoroethoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(2,2-difluoropropoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-[(2-chloro-8-methoxy-7H-purin-6-yl)-(1,3-thiazol-2-ylmethyl)amino]ethanol;8-methoxy-6-(1,3-thiazol-2-ylmethylamino)-7H-purine-2-carbonitrile
CID 160682667
8-but-2-ynoxy-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(2-cyclopropylethoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-[(3,3-difluorocyclobutyl)methoxy]-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(2-fluoro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-8-pent-3-ynoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine
CID 160987966
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-chloro-8-cyclobutyloxy-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-ethoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-methyl-6-(pyrimidin-4-ylmethylamino)-7H-purine-8-carboxamide;2-chloro-4-(pyridin-4-ylmethylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;5-chloro-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 157257907
5-methyl-5H-cyclopenta[c]pyridin-1-amine;6-methyl-5H-cyclopenta[c]pyridin-1-amine;7-methyl-5H-cyclopenta[c]pyridin-1-amine;5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-amine;6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-amine;7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-amine;2-methylfuro[2,3-c]pyridin-7-amine;3-methylfuro[2,3-c]pyridin-7-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;1-methylpyrrolo[3,2-c]pyridin-4-amine;bis(2-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine);2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;bis(3-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine);2-methyl-1H-pyrrolo[2,3-c]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[2,3-c]pyridin-7-amine
CID 157409239
bis(3-tert-butylfuran);2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
CID 157435254
2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(furan-2-ylmethyl)-9-(pyridin-2-ylmethyl)purin-6-amine;2-[6-(furan-2-ylmethylamino)purin-9-yl]ethanol;N-(furan-2-ylmethyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-(pyridin-2-ylmethyl)purin-6-amine
CID 157574690

Frequently Asked Questions

What is the IUPAC name of 8-butoxy-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-7-methyl-N-(pyridin-4-ylmethyl)purin-6-amine;2-[2-chloro-8-propoxy-6-(1,3-thiazol-2-ylmethylamino)purin-9-yl]ethanol;2-[[2-chloro-6-(pyrimidin-4-ylmethylamino)-7H-purin-8-yl]oxy]ethanol;2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol?
The IUPAC name of 8-butoxy-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-7-methyl-N-(pyridin-4-ylmethyl)purin-6-amine;2-[2-chloro-8-propoxy-6-(1,3-thiazol-2-ylmethylamino)purin-9-yl]ethanol;2-[[2-chloro-6-(pyrimidin-4-ylmethylamino)-7H-purin-8-yl]oxy]ethanol;2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol (CID 158280182) is 8-butoxy-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-7-methyl-N-(pyridin-4-ylmethyl)purin-6-amine;2-[2-chloro-8-propoxy-6-(1,3-thiazol-2-ylmethylamino)purin-9-yl]ethanol;2-[[2-chloro-6-(pyrimidin-4-ylmethylamino)-7H-purin-8-yl]oxy]ethanol;2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol.
What is the SMILES notation for 8-butoxy-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-7-methyl-N-(pyridin-4-ylmethyl)purin-6-amine;2-[2-chloro-8-propoxy-6-(1,3-thiazol-2-ylmethylamino)purin-9-yl]ethanol;2-[[2-chloro-6-(pyrimidin-4-ylmethylamino)-7H-purin-8-yl]oxy]ethanol;2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol?
The canonical SMILES for 8-butoxy-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-7-methyl-N-(pyridin-4-ylmethyl)purin-6-amine;2-[2-chloro-8-propoxy-6-(1,3-thiazol-2-ylmethylamino)purin-9-yl]ethanol;2-[[2-chloro-6-(pyrimidin-4-ylmethylamino)-7H-purin-8-yl]oxy]ethanol;2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol is CCCCOc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.CCCOc1nc2c(NCc3nccs3)nc(Cl)nc2n1CCO.Cn1cnc2nc(Cl)nc(NCc3ccncc3)c21.OCCOc1nc2nc(Cl)nc(NCc3ccncn3)c2[nH]1.OCCOc1nc2nc(Cl)nc(NCc3nccs3)c2[nH]1.
What is the InChIKey of 8-butoxy-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-7-methyl-N-(pyridin-4-ylmethyl)purin-6-amine;2-[2-chloro-8-propoxy-6-(1,3-thiazol-2-ylmethylamino)purin-9-yl]ethanol;2-[[2-chloro-6-(pyrimidin-4-ylmethylamino)-7H-purin-8-yl]oxy]ethanol;2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol?
The InChIKey is GKCRAAWOVDCFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6O2S.C14H16ClN5O2.C12H12ClN7O2.C12H11ClN6.C11H11ClN6O2S/c1-2-6-23-14-18-10-11(17-8-9-16-3-7-24-9)19-13(15)20-12(10)21(14)4-5-22;1-2-3-6-22-14-17-10-11(16-8-9-5-4-7-21-9)18-13(15)19-12(10)20-14;13-11-18-9(15-5-7-1-2-14-6-16-7)8-10(19-11)20-12(17-8)22-4-3-21;1-19-7-16-11-9(19)10(17-12(13)18-11)15-6-8-2-4-14-5-3-8;12-10-16-8(14-5-6-13-1-4-21-6)7-9(17-10)18-11(15-7)20-3-2-19/h3,7,22H,2,4-6,8H2,1H3,(H,17,19,20);4-5,7H,2-3,6,8H2,1H3,(H2,16,17,18,19,20);1-2,6,21H,3-5H2,(H2,15,17,18,19,20);2-5,7H,6H2,1H3,(H,15,17,18);1,4,19H,2-3,5H2,(H2,14,15,16,17,18).
What are the key properties of 8-butoxy-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-7-methyl-N-(pyridin-4-ylmethyl)purin-6-amine;2-[2-chloro-8-propoxy-6-(1,3-thiazol-2-ylmethylamino)purin-9-yl]ethanol;2-[[2-chloro-6-(pyrimidin-4-ylmethylamino)-7H-purin-8-yl]oxy]ethanol;2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol?
8-butoxy-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-7-methyl-N-(pyridin-4-ylmethyl)purin-6-amine;2-[2-chloro-8-propoxy-6-(1,3-thiazol-2-ylmethylamino)purin-9-yl]ethanol;2-[[2-chloro-6-(pyrimidin-4-ylmethylamino)-7H-purin-8-yl]oxy]ethanol;2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol has a molecular weight of 1613.83 g/mol, XLogP of 9.97, 30 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butoxy-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-7-methyl-N-(pyridin-4-ylmethyl)purin-6-amine;2-[2-chloro-8-propoxy-6-(1,3-thiazol-2-ylmethylamino)purin-9-yl]ethanol;2-[[2-chloro-6-(pyrimidin-4-ylmethylamino)-7H-purin-8-yl]oxy]ethanol;2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol is sourced from PubChem (CID 158280182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).