2-chloro-N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine;2,6-dichloro-7H-purine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-N-(1-methylsulfonylpiperidin-3-yl)-7H-purine-2,6-diamine;nonadecadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217-nonahectayne

C257H51Cl3N18O6S2 — CID 159598900

About 2-chloro-N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine;2,6-dichloro-7H-purine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-N-(1-methylsulfonylpiperidin-3-yl)-7H-purine-2,6-diamine;nonadecadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217-nonahectayne

2-chloro-N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine;2,6-dichloro-7H-purine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-N-(1-methylsulfonylpiperidin-3-yl)-7H-purine-2,6-diamine;nonadecadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217-nonahectayne (PubChem CID 159598900) has the molecular formula C257H51Cl3N18O6S2 and a molecular weight of 3656.85 g/mol. Its IUPAC name is 2-chloro-N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine;2,6-dichloro-7H-purine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-N-(1-methylsulfonylpiperidin-3-yl)-7H-purine-2,6-diamine;nonadecadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217-nonahectayne.

Molecular Properties

• Compound Name: 2-chloro-N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine;2,6-dichloro-7H-purine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-N-(1-methylsulfonylpiperidin-3-yl)-7H-purine-2,6-diamine;nonadecadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217-nonahectayne
• PubChem CID: 159598900
• Molecular Formula: C257H51Cl3N18O6S2
• Molecular Weight: 3656.85 g/mol
• Exact Mass: 3652.27
• IUPAC Name: 2-chloro-N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine;2,6-dichloro-7H-purine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-N-(1-methylsulfonylpiperidin-3-yl)-7H-purine-2,6-diamine;nonadecadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217-nonahectayne
• SMILES: 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#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#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.COc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCN(S(C)(=O)=O)C2)c2[nH]cnc2n1.CS(=O)(=O)N1CCCC(Nc2nc(Cl)nc3nc[nH]c23)C1.Clc1nc(Cl)c2[nH]cnc2n1
• InChI: InChI=1S/C219H4.C22H30N8O4S.C11H15ClN6O2S.C5H2Cl2N4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-113-115-117-119-121-123-125-127-129-131-133-135-137-139-141-143-145-147-149-151-153-155-157-159-161-163-165-167-169-171-173-175-177-179-181-183-185-187-189-191-193-195-197-199-201-203-205-207-209-211-213-215-217-219-218-216-214-212-210-208-206-204-202-200-198-196-194-192-190-188-186-184-182-180-178-176-174-172-170-168-166-164-162-160-158-156-154-152-150-148-146-144-142-140-138-136-134-132-130-128-126-124-122-120-118-116-114-112-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-33-18-12-16(29-8-10-34-11-9-29)5-6-17(18)26-22-27-20-19(23-14-24-20)21(28-22)25-15-4-3-7-30(13-15)35(2,31)32;1-21(19,20)18-4-2-3-7(5-18)15-10-8-9(14-6-13-8)16-11(12)17-10;6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,2H3;5-6,12,14-15H,3-4,7-11,13H2,1-2H3,(H3,23,24,25,26,27,28);6-7H,2-5H2,1H3,(H2,13,14,15,16,17);1H,(H,8,9,10,11)
• InChIKey: MLFABBIZQWRTBQ-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 295.93 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 286
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3656.85
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine;2,6-dichloro-7H-purine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-N-(1-methylsulfonylpiperidin-3-yl)-7H-purine-2,6-diamine;nonadecadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217-nonahectayne?

The IUPAC name of 2-chloro-N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine;2,6-dichloro-7H-purine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-N-(1-methylsulfonylpiperidin-3-yl)-7H-purine-2,6-diamine;nonadecadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217-nonahectayne (CID 159598900) is 2-chloro-N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine;2,6-dichloro-7H-purine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-N-(1-methylsulfonylpiperidin-3-yl)-7H-purine-2,6-diamine;nonadecadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217-nonahectayne.

What is the SMILES notation for 2-chloro-N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine;2,6-dichloro-7H-purine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-N-(1-methylsulfonylpiperidin-3-yl)-7H-purine-2,6-diamine;nonadecadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217-nonahectayne?

The canonical SMILES for 2-chloro-N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine;2,6-dichloro-7H-purine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-N-(1-methylsulfonylpiperidin-3-yl)-7H-purine-2,6-diamine;nonadecadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217-nonahectayne 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#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#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.COc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCN(S(C)(=O)=O)C2)c2[nH]cnc2n1.CS(=O)(=O)N1CCCC(Nc2nc(Cl)nc3nc[nH]c23)C1.Clc1nc(Cl)c2[nH]cnc2n1.

What is the InChIKey of 2-chloro-N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine;2,6-dichloro-7H-purine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-N-(1-methylsulfonylpiperidin-3-yl)-7H-purine-2,6-diamine;nonadecadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217-nonahectayne?

The InChIKey is MLFABBIZQWRTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C219H4.C22H30N8O4S.C11H15ClN6O2S.C5H2Cl2N4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-113-115-117-119-121-123-125-127-129-131-133-135-137-139-141-143-145-147-149-151-153-155-157-159-161-163-165-167-169-171-173-175-177-179-181-183-185-187-189-191-193-195-197-199-201-203-205-207-209-211-213-215-217-219-218-216-214-212-210-208-206-204-202-200-198-196-194-192-190-188-186-184-182-180-178-176-174-172-170-168-166-164-162-160-158-156-154-152-150-148-146-144-142-140-138-136-134-132-130-128-126-124-122-120-118-116-114-112-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-33-18-12-16(29-8-10-34-11-9-29)5-6-17(18)26-22-27-20-19(23-14-24-20)21(28-22)25-15-4-3-7-30(13-15)35(2,31)32;1-21(19,20)18-4-2-3-7(5-18)15-10-8-9(14-6-13-8)16-11(12)17-10;6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,2H3;5-6,12,14-15H,3-4,7-11,13H2,1-2H3,(H3,23,24,25,26,27,28);6-7H,2-5H2,1H3,(H2,13,14,15,16,17);1H,(H,8,9,10,11).

What are the key properties of 2-chloro-N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine;2,6-dichloro-7H-purine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-N-(1-methylsulfonylpiperidin-3-yl)-7H-purine-2,6-diamine;nonadecadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217-nonahectayne?

2-chloro-N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine;2,6-dichloro-7H-purine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-N-(1-methylsulfonylpiperidin-3-yl)-7H-purine-2,6-diamine;nonadecadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217-nonahectayne has a molecular weight of 3656.85 g/mol, XLogP of 5.29, 10 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine;2,6-dichloro-7H-purine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6-N-(1-methylsulfonylpiperidin-3-yl)-7H-purine-2,6-diamine;nonadecadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217-nonahectayne is sourced from PubChem (CID 159598900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).