2-chloro-6-(cyclohexylmethyl)-9-(oxan-2-yl)purine;6-(cyclohexylmethyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-9-(oxan-2-yl)purine;2,6-dichloro-7H-purine;nonaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87-tetratetracontayne

C144H69Cl5N18O4 — CID 160715273

IUPAC2-chloro-6-(cyclohexylmethyl)-9-(oxan-2-yl)purine;6-(cyclohexylmethyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-9-(oxan-2-yl)purine;2,6-dichloro-7H-purine;nonaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87-tetratetracontayne
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.COc1cc(N2CCOCC2)ccc1Nc1nc(CC2CCCCC2)c2[nH]cnc2n1.Clc1nc(CC2CCCCC2)c2ncn(C3CCCCO3)c2n1.Clc1nc(Cl)c2[nH]cnc2n1.Clc1nc(Cl)c2ncn(C3CCCCO3)c2n1
InChIInChI=1S/C89H4.C23H30N6O2.C17H23ClN4O.C10H10Cl2N4O.C5H2Cl2N4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-30-20-14-17(29-9-11-31-12-10-29)7-8-18(20)26-23-27-19(13-16-5-3-2-4-6-16)21-22(28-23)25-15-24-21;18-17-20-13(10-12-6-2-1-3-7-12)15-16(21-17)22(11-19-15)14-8-4-5-9-23-14;11-8-7-9(15-10(12)14-8)16(5-13-7)6-3-1-2-4-17-6;6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,2H3;7-8,14-16H,2-6,9-13H2,1H3,(H2,24,25,26,27,28);11-12,14H,1-10H2;5-6H,1-4H2;1H,(H,8,9,10,11)
InChIKeyRSJPPDZRAAJVPZ-UHFFFAOYSA-N
MW2292.52 g/mol
LogP13.64
Rot. Bonds10

About 2-chloro-6-(cyclohexylmethyl)-9-(oxan-2-yl)purine;6-(cyclohexylmethyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-9-(oxan-2-yl)purine;2,6-dichloro-7H-purine;nonaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87-tetratetracontayne

2-chloro-6-(cyclohexylmethyl)-9-(oxan-2-yl)purine;6-(cyclohexylmethyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-9-(oxan-2-yl)purine;2,6-dichloro-7H-purine;nonaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87-tetratetracontayne (PubChem CID 160715273) has the molecular formula C144H69Cl5N18O4 and a molecular weight of 2292.52 g/mol. Its IUPAC name is 2-chloro-6-(cyclohexylmethyl)-9-(oxan-2-yl)purine;6-(cyclohexylmethyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-9-(oxan-2-yl)purine;2,6-dichloro-7H-purine;nonaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87-tetratetracontayne.

Molecular Properties

Compound Name2-chloro-6-(cyclohexylmethyl)-9-(oxan-2-yl)purine;6-(cyclohexylmethyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-9-(oxan-2-yl)purine;2,6-dichloro-7H-purine;nonaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87-tetratetracontayne
PubChem CID160715273
Molecular FormulaC144H69Cl5N18O4
Molecular Weight2292.52 g/mol
Exact Mass2288.42
IUPAC Name2-chloro-6-(cyclohexylmethyl)-9-(oxan-2-yl)purine;6-(cyclohexylmethyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-9-(oxan-2-yl)purine;2,6-dichloro-7H-purine;nonaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87-tetratetracontayne
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.COc1cc(N2CCOCC2)ccc1Nc1nc(CC2CCCCC2)c2[nH]cnc2n1.Clc1nc(CC2CCCCC2)c2ncn(C3CCCCO3)c2n1.Clc1nc(Cl)c2[nH]cnc2n1.Clc1nc(Cl)c2ncn(C3CCCCO3)c2n1
InChIInChI=1S/C89H4.C23H30N6O2.C17H23ClN4O.C10H10Cl2N4O.C5H2Cl2N4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-30-20-14-17(29-9-11-31-12-10-29)7-8-18(20)26-23-27-19(13-16-5-3-2-4-6-16)21-22(28-23)25-15-24-21;18-17-20-13(10-12-6-2-1-3-7-12)15-16(21-17)22(11-19-15)14-8-4-5-9-23-14;11-8-7-9(15-10(12)14-8)16(5-13-7)6-3-1-2-4-17-6;6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,2H3;7-8,14-16H,2-6,9-13H2,1H3,(H2,24,25,26,27,28);11-12,14H,1-10H2;5-6H,1-4H2;1H,(H,8,9,10,11)
InChIKeyRSJPPDZRAAJVPZ-UHFFFAOYSA-N
XLogP13.64
TPSA248.31 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002292.52
LogP ≤ 513.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-chloro-6-(cyclohexylmethyl)-9-(oxan-2-yl)purine;6-(cyclohexylmethyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-9-(oxan-2-yl)purine;2,6-dichloro-7H-purine;nonaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87-tetratetracontayne with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(cyclohexylmethyl)-9-(oxan-2-yl)purine;6-(cyclohexylmethyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-9-(oxan-2-yl)purine;2,6-dichloro-7H-purine;nonaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87-tetratetracontayne?
The IUPAC name of 2-chloro-6-(cyclohexylmethyl)-9-(oxan-2-yl)purine;6-(cyclohexylmethyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-9-(oxan-2-yl)purine;2,6-dichloro-7H-purine;nonaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87-tetratetracontayne (CID 160715273) is 2-chloro-6-(cyclohexylmethyl)-9-(oxan-2-yl)purine;6-(cyclohexylmethyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-9-(oxan-2-yl)purine;2,6-dichloro-7H-purine;nonaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87-tetratetracontayne.
What is the SMILES notation for 2-chloro-6-(cyclohexylmethyl)-9-(oxan-2-yl)purine;6-(cyclohexylmethyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-9-(oxan-2-yl)purine;2,6-dichloro-7H-purine;nonaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87-tetratetracontayne?
The canonical SMILES for 2-chloro-6-(cyclohexylmethyl)-9-(oxan-2-yl)purine;6-(cyclohexylmethyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-9-(oxan-2-yl)purine;2,6-dichloro-7H-purine;nonaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87-tetratetracontayne is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.COc1cc(N2CCOCC2)ccc1Nc1nc(CC2CCCCC2)c2[nH]cnc2n1.Clc1nc(CC2CCCCC2)c2ncn(C3CCCCO3)c2n1.Clc1nc(Cl)c2[nH]cnc2n1.Clc1nc(Cl)c2ncn(C3CCCCO3)c2n1.
What is the InChIKey of 2-chloro-6-(cyclohexylmethyl)-9-(oxan-2-yl)purine;6-(cyclohexylmethyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-9-(oxan-2-yl)purine;2,6-dichloro-7H-purine;nonaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87-tetratetracontayne?
The InChIKey is RSJPPDZRAAJVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H4.C23H30N6O2.C17H23ClN4O.C10H10Cl2N4O.C5H2Cl2N4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-30-20-14-17(29-9-11-31-12-10-29)7-8-18(20)26-23-27-19(13-16-5-3-2-4-6-16)21-22(28-23)25-15-24-21;18-17-20-13(10-12-6-2-1-3-7-12)15-16(21-17)22(11-19-15)14-8-4-5-9-23-14;11-8-7-9(15-10(12)14-8)16(5-13-7)6-3-1-2-4-17-6;6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,2H3;7-8,14-16H,2-6,9-13H2,1H3,(H2,24,25,26,27,28);11-12,14H,1-10H2;5-6H,1-4H2;1H,(H,8,9,10,11).
What are the key properties of 2-chloro-6-(cyclohexylmethyl)-9-(oxan-2-yl)purine;6-(cyclohexylmethyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-9-(oxan-2-yl)purine;2,6-dichloro-7H-purine;nonaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87-tetratetracontayne?
2-chloro-6-(cyclohexylmethyl)-9-(oxan-2-yl)purine;6-(cyclohexylmethyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-9-(oxan-2-yl)purine;2,6-dichloro-7H-purine;nonaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87-tetratetracontayne has a molecular weight of 2292.52 g/mol, XLogP of 13.64, 10 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(cyclohexylmethyl)-9-(oxan-2-yl)purine;6-(cyclohexylmethyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purin-2-amine;2,6-dichloro-9-(oxan-2-yl)purine;2,6-dichloro-7H-purine;nonaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87-tetratetracontayne is sourced from PubChem (CID 160715273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).