2-N-[6-amino-2-(octylamino)pyrimidin-4-yl]-2-N-[4-[[4-[bis[4-amino-6-(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]methoxy]phenyl]-4-N-octyl-1,3,5-triazine-2,4,6-triamine;2-N-[4-[[4-[bis(4,6-diamino-1,3,5-triazin-2-yl)amino]phenoxy]methoxy]phenyl]-2-N-(2,6-diaminopyrimidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[4-[5-[4-[[4,6-bis(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]pentoxy]phenyl]-4-N,6-N-dioctyl-1,3,5-triazine-2,4,6-triamine;4-N-butyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-decyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-hexyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-octyl-1,3,5-triazine-2,4,6-triamine

C211H322N78O10 — CID 159810623

IUPAC2-N-[6-amino-2-(octylamino)pyrimidin-4-yl]-2-N-[4-[[4-[bis[4-amino-6-(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]methoxy]phenyl]-4-N-octyl-1,3,5-triazine-2,4,6-triamine;2-N-[4-[[4-[bis(4,6-diamino-1,3,5-triazin-2-yl)amino]phenoxy]methoxy]phenyl]-2-N-(2,6-diaminopyrimidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[4-[5-[4-[[4,6-bis(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]pentoxy]phenyl]-4-N,6-N-dioctyl-1,3,5-triazine-2,4,6-triamine;4-N-butyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-decyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-hexyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-octyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCCCNc1nc(N)nc(Nc2ccc(OCC)cc2)n1.CCCCCCCCNc1nc(N)cc(N(c2ccc(OCOc3ccc(N(c4nc(N)nc(NCCCCCCCC)n4)c4nc(N)nc(NCCCCCCCC)n4)cc3)cc2)c2nc(N)nc(NCCCCCCCC)n2)n1.CCCCCCCCNc1nc(N)nc(Nc2ccc(OCC)cc2)n1.CCCCCCCCNc1nc(NCCCCCCCC)nc(Nc2ccc(OCCCCCOc3ccc(Nc4nc(NCCCCCCCC)nc(NCCCCCCCC)n4)cc3)cc2)n1.CCCCCCNc1nc(N)nc(Nc2ccc(OCC)cc2)n1.CCCCNc1nc(N)nc(Nc2ccc(OCC)cc2)n1.Nc1cc(N(c2ccc(OCOc3ccc(N(c4nc(N)nc(N)n4)c4nc(N)nc(N)n4)cc3)cc2)c2nc(N)nc(N)n2)nc(N)n1
InChIInChI=1S/C58H91N21O2.C55H92N12O2.C26H27N21O2.C21H34N6O.C19H30N6O.C17H26N6O.C15H22N6O/c1-5-9-13-17-21-25-37-63-52-67-47(59)41-48(68-52)78(56-72-49(60)69-53(75-56)64-38-26-22-18-14-10-6-2)43-29-33-45(34-30-43)80-42-81-46-35-31-44(32-36-46)79(57-73-50(61)70-54(76-57)65-39-27-23-19-15-11-7-3)58-74-51(62)71-55(77-58)66-40-28-24-20-16-12-8-4;1-5-9-13-17-21-26-40-56-50-62-51(57-41-27-22-18-14-10-6-2)65-54(64-50)60-46-32-36-48(37-33-46)68-44-30-25-31-45-69-49-38-34-47(35-39-49)61-55-66-52(58-42-28-23-19-15-11-7-3)63-53(67-55)59-43-29-24-20-16-12-8-4;27-15-9-16(36-17(28)35-15)46(24-40-18(29)37-19(30)41-24)11-1-5-13(6-2-11)48-10-49-14-7-3-12(4-8-14)47(25-42-20(31)38-21(32)43-25)26-44-22(33)39-23(34)45-26;1-3-5-6-7-8-9-10-11-16-23-20-25-19(22)26-21(27-20)24-17-12-14-18(15-13-17)28-4-2;1-3-5-6-7-8-9-14-21-18-23-17(20)24-19(25-18)22-15-10-12-16(13-11-15)26-4-2;1-3-5-6-7-12-19-16-21-15(18)22-17(23-16)20-13-8-10-14(11-9-13)24-4-2;1-3-5-10-17-14-19-13(16)20-15(21-14)18-11-6-8-12(9-7-11)22-4-2/h29-36,41H,5-28,37-40,42H2,1-4H3,(H3,59,63,67,68)(H3,60,64,69,72,75)(H3,61,65,70,73,76)(H3,62,66,71,74,77);32-39H,5-31,40-45H2,1-4H3,(H3,56,57,60,62,64,65)(H3,58,59,61,63,66,67);1-9H,10H2,(H4,27,28,35,36)(H4,29,30,37,40,41)(H4,31,32,38,42,43)(H4,33,34,39,44,45);12-15H,3-11,16H2,1-2H3,(H4,22,23,24,25,26,27);10-13H,3-9,14H2,1-2H3,(H4,20,21,22,23,24,25);8-11H,3-7,12H2,1-2H3,(H4,18,19,20,21,22,23);6-9H,3-5,10H2,1-2H3,(H4,16,17,18,19,20,21)
InChIKeyNKYZMGVMKFYAND-UHFFFAOYSA-N
MW4111.43 g/mol
LogP44.02
Rot. Bonds140

About 2-N-[6-amino-2-(octylamino)pyrimidin-4-yl]-2-N-[4-[[4-[bis[4-amino-6-(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]methoxy]phenyl]-4-N-octyl-1,3,5-triazine-2,4,6-triamine;2-N-[4-[[4-[bis(4,6-diamino-1,3,5-triazin-2-yl)amino]phenoxy]methoxy]phenyl]-2-N-(2,6-diaminopyrimidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[4-[5-[4-[[4,6-bis(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]pentoxy]phenyl]-4-N,6-N-dioctyl-1,3,5-triazine-2,4,6-triamine;4-N-butyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-decyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-hexyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-octyl-1,3,5-triazine-2,4,6-triamine

2-N-[6-amino-2-(octylamino)pyrimidin-4-yl]-2-N-[4-[[4-[bis[4-amino-6-(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]methoxy]phenyl]-4-N-octyl-1,3,5-triazine-2,4,6-triamine;2-N-[4-[[4-[bis(4,6-diamino-1,3,5-triazin-2-yl)amino]phenoxy]methoxy]phenyl]-2-N-(2,6-diaminopyrimidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[4-[5-[4-[[4,6-bis(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]pentoxy]phenyl]-4-N,6-N-dioctyl-1,3,5-triazine-2,4,6-triamine;4-N-butyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-decyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-hexyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-octyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 159810623) has the molecular formula C211H322N78O10 and a molecular weight of 4111.43 g/mol. Its IUPAC name is 2-N-[6-amino-2-(octylamino)pyrimidin-4-yl]-2-N-[4-[[4-[bis[4-amino-6-(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]methoxy]phenyl]-4-N-octyl-1,3,5-triazine-2,4,6-triamine;2-N-[4-[[4-[bis(4,6-diamino-1,3,5-triazin-2-yl)amino]phenoxy]methoxy]phenyl]-2-N-(2,6-diaminopyrimidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[4-[5-[4-[[4,6-bis(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]pentoxy]phenyl]-4-N,6-N-dioctyl-1,3,5-triazine-2,4,6-triamine;4-N-butyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-decyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-hexyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-octyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[6-amino-2-(octylamino)pyrimidin-4-yl]-2-N-[4-[[4-[bis[4-amino-6-(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]methoxy]phenyl]-4-N-octyl-1,3,5-triazine-2,4,6-triamine;2-N-[4-[[4-[bis(4,6-diamino-1,3,5-triazin-2-yl)amino]phenoxy]methoxy]phenyl]-2-N-(2,6-diaminopyrimidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[4-[5-[4-[[4,6-bis(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]pentoxy]phenyl]-4-N,6-N-dioctyl-1,3,5-triazine-2,4,6-triamine;4-N-butyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-decyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-hexyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-octyl-1,3,5-triazine-2,4,6-triamine
PubChem CID159810623
Molecular FormulaC211H322N78O10
Molecular Weight4111.43 g/mol
Exact Mass4108.71
IUPAC Name2-N-[6-amino-2-(octylamino)pyrimidin-4-yl]-2-N-[4-[[4-[bis[4-amino-6-(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]methoxy]phenyl]-4-N-octyl-1,3,5-triazine-2,4,6-triamine;2-N-[4-[[4-[bis(4,6-diamino-1,3,5-triazin-2-yl)amino]phenoxy]methoxy]phenyl]-2-N-(2,6-diaminopyrimidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[4-[5-[4-[[4,6-bis(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]pentoxy]phenyl]-4-N,6-N-dioctyl-1,3,5-triazine-2,4,6-triamine;4-N-butyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-decyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-hexyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-octyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCCCNc1nc(N)nc(Nc2ccc(OCC)cc2)n1.CCCCCCCCNc1nc(N)cc(N(c2ccc(OCOc3ccc(N(c4nc(N)nc(NCCCCCCCC)n4)c4nc(N)nc(NCCCCCCCC)n4)cc3)cc2)c2nc(N)nc(NCCCCCCCC)n2)n1.CCCCCCCCNc1nc(N)nc(Nc2ccc(OCC)cc2)n1.CCCCCCCCNc1nc(NCCCCCCCC)nc(Nc2ccc(OCCCCCOc3ccc(Nc4nc(NCCCCCCCC)nc(NCCCCCCCC)n4)cc3)cc2)n1.CCCCCCNc1nc(N)nc(Nc2ccc(OCC)cc2)n1.CCCCNc1nc(N)nc(Nc2ccc(OCC)cc2)n1.Nc1cc(N(c2ccc(OCOc3ccc(N(c4nc(N)nc(N)n4)c4nc(N)nc(N)n4)cc3)cc2)c2nc(N)nc(N)n2)nc(N)n1
InChIInChI=1S/C58H91N21O2.C55H92N12O2.C26H27N21O2.C21H34N6O.C19H30N6O.C17H26N6O.C15H22N6O/c1-5-9-13-17-21-25-37-63-52-67-47(59)41-48(68-52)78(56-72-49(60)69-53(75-56)64-38-26-22-18-14-10-6-2)43-29-33-45(34-30-43)80-42-81-46-35-31-44(32-36-46)79(57-73-50(61)70-54(76-57)65-39-27-23-19-15-11-7-3)58-74-51(62)71-55(77-58)66-40-28-24-20-16-12-8-4;1-5-9-13-17-21-26-40-56-50-62-51(57-41-27-22-18-14-10-6-2)65-54(64-50)60-46-32-36-48(37-33-46)68-44-30-25-31-45-69-49-38-34-47(35-39-49)61-55-66-52(58-42-28-23-19-15-11-7-3)63-53(67-55)59-43-29-24-20-16-12-8-4;27-15-9-16(36-17(28)35-15)46(24-40-18(29)37-19(30)41-24)11-1-5-13(6-2-11)48-10-49-14-7-3-12(4-8-14)47(25-42-20(31)38-21(32)43-25)26-44-22(33)39-23(34)45-26;1-3-5-6-7-8-9-10-11-16-23-20-25-19(22)26-21(27-20)24-17-12-14-18(15-13-17)28-4-2;1-3-5-6-7-8-9-14-21-18-23-17(20)24-19(25-18)22-15-10-12-16(13-11-15)26-4-2;1-3-5-6-7-12-19-16-21-15(18)22-17(23-16)20-13-8-10-14(11-9-13)24-4-2;1-3-5-10-17-14-19-13(16)20-15(21-14)18-11-6-8-12(9-7-11)22-4-2/h29-36,41H,5-28,37-40,42H2,1-4H3,(H3,59,63,67,68)(H3,60,64,69,72,75)(H3,61,65,70,73,76)(H3,62,66,71,74,77);32-39H,5-31,40-45H2,1-4H3,(H3,56,57,60,62,64,65)(H3,58,59,61,63,66,67);1-9H,10H2,(H4,27,28,35,36)(H4,29,30,37,40,41)(H4,31,32,38,42,43)(H4,33,34,39,44,45);12-15H,3-11,16H2,1-2H3,(H4,22,23,24,25,26,27);10-13H,3-9,14H2,1-2H3,(H4,20,21,22,23,24,25);8-11H,3-7,12H2,1-2H3,(H4,18,19,20,21,22,23);6-9H,3-5,10H2,1-2H3,(H4,16,17,18,19,20,21)
InChIKeyNKYZMGVMKFYAND-UHFFFAOYSA-N
XLogP44.02
TPSA1253.72 Ų
H-Bond Donors34
H-Bond Acceptors88
Rotatable Bonds140
Heavy Atoms299
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004111.43
LogP ≤ 544.02
H-Bond Donors ≤ 534
H-Bond Acceptors ≤ 1088

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-N-[6-amino-2-(octylamino)pyrimidin-4-yl]-2-N-[4-[[4-[bis[4-amino-6-(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]methoxy]phenyl]-4-N-octyl-1,3,5-triazine-2,4,6-triamine;2-N-[4-[[4-[bis(4,6-diamino-1,3,5-triazin-2-yl)amino]phenoxy]methoxy]phenyl]-2-N-(2,6-diaminopyrimidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[4-[5-[4-[[4,6-bis(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]pentoxy]phenyl]-4-N,6-N-dioctyl-1,3,5-triazine-2,4,6-triamine;4-N-butyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-decyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-hexyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-octyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[6-amino-2-(octylamino)pyrimidin-4-yl]-2-N-[4-[[4-[bis[4-amino-6-(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]methoxy]phenyl]-4-N-octyl-1,3,5-triazine-2,4,6-triamine;2-N-[4-[[4-[bis(4,6-diamino-1,3,5-triazin-2-yl)amino]phenoxy]methoxy]phenyl]-2-N-(2,6-diaminopyrimidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[4-[5-[4-[[4,6-bis(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]pentoxy]phenyl]-4-N,6-N-dioctyl-1,3,5-triazine-2,4,6-triamine;4-N-butyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-decyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-hexyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-octyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[6-amino-2-(octylamino)pyrimidin-4-yl]-2-N-[4-[[4-[bis[4-amino-6-(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]methoxy]phenyl]-4-N-octyl-1,3,5-triazine-2,4,6-triamine;2-N-[4-[[4-[bis(4,6-diamino-1,3,5-triazin-2-yl)amino]phenoxy]methoxy]phenyl]-2-N-(2,6-diaminopyrimidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[4-[5-[4-[[4,6-bis(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]pentoxy]phenyl]-4-N,6-N-dioctyl-1,3,5-triazine-2,4,6-triamine;4-N-butyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-decyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-hexyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-octyl-1,3,5-triazine-2,4,6-triamine (CID 159810623) is 2-N-[6-amino-2-(octylamino)pyrimidin-4-yl]-2-N-[4-[[4-[bis[4-amino-6-(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]methoxy]phenyl]-4-N-octyl-1,3,5-triazine-2,4,6-triamine;2-N-[4-[[4-[bis(4,6-diamino-1,3,5-triazin-2-yl)amino]phenoxy]methoxy]phenyl]-2-N-(2,6-diaminopyrimidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[4-[5-[4-[[4,6-bis(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]pentoxy]phenyl]-4-N,6-N-dioctyl-1,3,5-triazine-2,4,6-triamine;4-N-butyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-decyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-hexyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-octyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[6-amino-2-(octylamino)pyrimidin-4-yl]-2-N-[4-[[4-[bis[4-amino-6-(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]methoxy]phenyl]-4-N-octyl-1,3,5-triazine-2,4,6-triamine;2-N-[4-[[4-[bis(4,6-diamino-1,3,5-triazin-2-yl)amino]phenoxy]methoxy]phenyl]-2-N-(2,6-diaminopyrimidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[4-[5-[4-[[4,6-bis(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]pentoxy]phenyl]-4-N,6-N-dioctyl-1,3,5-triazine-2,4,6-triamine;4-N-butyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-decyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-hexyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-octyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[6-amino-2-(octylamino)pyrimidin-4-yl]-2-N-[4-[[4-[bis[4-amino-6-(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]methoxy]phenyl]-4-N-octyl-1,3,5-triazine-2,4,6-triamine;2-N-[4-[[4-[bis(4,6-diamino-1,3,5-triazin-2-yl)amino]phenoxy]methoxy]phenyl]-2-N-(2,6-diaminopyrimidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[4-[5-[4-[[4,6-bis(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]pentoxy]phenyl]-4-N,6-N-dioctyl-1,3,5-triazine-2,4,6-triamine;4-N-butyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-decyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-hexyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-octyl-1,3,5-triazine-2,4,6-triamine is CCCCCCCCCCNc1nc(N)nc(Nc2ccc(OCC)cc2)n1.CCCCCCCCNc1nc(N)cc(N(c2ccc(OCOc3ccc(N(c4nc(N)nc(NCCCCCCCC)n4)c4nc(N)nc(NCCCCCCCC)n4)cc3)cc2)c2nc(N)nc(NCCCCCCCC)n2)n1.CCCCCCCCNc1nc(N)nc(Nc2ccc(OCC)cc2)n1.CCCCCCCCNc1nc(NCCCCCCCC)nc(Nc2ccc(OCCCCCOc3ccc(Nc4nc(NCCCCCCCC)nc(NCCCCCCCC)n4)cc3)cc2)n1.CCCCCCNc1nc(N)nc(Nc2ccc(OCC)cc2)n1.CCCCNc1nc(N)nc(Nc2ccc(OCC)cc2)n1.Nc1cc(N(c2ccc(OCOc3ccc(N(c4nc(N)nc(N)n4)c4nc(N)nc(N)n4)cc3)cc2)c2nc(N)nc(N)n2)nc(N)n1.
What is the InChIKey of 2-N-[6-amino-2-(octylamino)pyrimidin-4-yl]-2-N-[4-[[4-[bis[4-amino-6-(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]methoxy]phenyl]-4-N-octyl-1,3,5-triazine-2,4,6-triamine;2-N-[4-[[4-[bis(4,6-diamino-1,3,5-triazin-2-yl)amino]phenoxy]methoxy]phenyl]-2-N-(2,6-diaminopyrimidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[4-[5-[4-[[4,6-bis(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]pentoxy]phenyl]-4-N,6-N-dioctyl-1,3,5-triazine-2,4,6-triamine;4-N-butyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-decyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-hexyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-octyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is NKYZMGVMKFYAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H91N21O2.C55H92N12O2.C26H27N21O2.C21H34N6O.C19H30N6O.C17H26N6O.C15H22N6O/c1-5-9-13-17-21-25-37-63-52-67-47(59)41-48(68-52)78(56-72-49(60)69-53(75-56)64-38-26-22-18-14-10-6-2)43-29-33-45(34-30-43)80-42-81-46-35-31-44(32-36-46)79(57-73-50(61)70-54(76-57)65-39-27-23-19-15-11-7-3)58-74-51(62)71-55(77-58)66-40-28-24-20-16-12-8-4;1-5-9-13-17-21-26-40-56-50-62-51(57-41-27-22-18-14-10-6-2)65-54(64-50)60-46-32-36-48(37-33-46)68-44-30-25-31-45-69-49-38-34-47(35-39-49)61-55-66-52(58-42-28-23-19-15-11-7-3)63-53(67-55)59-43-29-24-20-16-12-8-4;27-15-9-16(36-17(28)35-15)46(24-40-18(29)37-19(30)41-24)11-1-5-13(6-2-11)48-10-49-14-7-3-12(4-8-14)47(25-42-20(31)38-21(32)43-25)26-44-22(33)39-23(34)45-26;1-3-5-6-7-8-9-10-11-16-23-20-25-19(22)26-21(27-20)24-17-12-14-18(15-13-17)28-4-2;1-3-5-6-7-8-9-14-21-18-23-17(20)24-19(25-18)22-15-10-12-16(13-11-15)26-4-2;1-3-5-6-7-12-19-16-21-15(18)22-17(23-16)20-13-8-10-14(11-9-13)24-4-2;1-3-5-10-17-14-19-13(16)20-15(21-14)18-11-6-8-12(9-7-11)22-4-2/h29-36,41H,5-28,37-40,42H2,1-4H3,(H3,59,63,67,68)(H3,60,64,69,72,75)(H3,61,65,70,73,76)(H3,62,66,71,74,77);32-39H,5-31,40-45H2,1-4H3,(H3,56,57,60,62,64,65)(H3,58,59,61,63,66,67);1-9H,10H2,(H4,27,28,35,36)(H4,29,30,37,40,41)(H4,31,32,38,42,43)(H4,33,34,39,44,45);12-15H,3-11,16H2,1-2H3,(H4,22,23,24,25,26,27);10-13H,3-9,14H2,1-2H3,(H4,20,21,22,23,24,25);8-11H,3-7,12H2,1-2H3,(H4,18,19,20,21,22,23);6-9H,3-5,10H2,1-2H3,(H4,16,17,18,19,20,21).
What are the key properties of 2-N-[6-amino-2-(octylamino)pyrimidin-4-yl]-2-N-[4-[[4-[bis[4-amino-6-(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]methoxy]phenyl]-4-N-octyl-1,3,5-triazine-2,4,6-triamine;2-N-[4-[[4-[bis(4,6-diamino-1,3,5-triazin-2-yl)amino]phenoxy]methoxy]phenyl]-2-N-(2,6-diaminopyrimidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[4-[5-[4-[[4,6-bis(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]pentoxy]phenyl]-4-N,6-N-dioctyl-1,3,5-triazine-2,4,6-triamine;4-N-butyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-decyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-hexyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-octyl-1,3,5-triazine-2,4,6-triamine?
2-N-[6-amino-2-(octylamino)pyrimidin-4-yl]-2-N-[4-[[4-[bis[4-amino-6-(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]methoxy]phenyl]-4-N-octyl-1,3,5-triazine-2,4,6-triamine;2-N-[4-[[4-[bis(4,6-diamino-1,3,5-triazin-2-yl)amino]phenoxy]methoxy]phenyl]-2-N-(2,6-diaminopyrimidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[4-[5-[4-[[4,6-bis(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]pentoxy]phenyl]-4-N,6-N-dioctyl-1,3,5-triazine-2,4,6-triamine;4-N-butyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-decyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-hexyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-octyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 4111.43 g/mol, XLogP of 44.02, 140 rotatable bonds, 34 hydrogen bond donors, and 88 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[6-amino-2-(octylamino)pyrimidin-4-yl]-2-N-[4-[[4-[bis[4-amino-6-(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]methoxy]phenyl]-4-N-octyl-1,3,5-triazine-2,4,6-triamine;2-N-[4-[[4-[bis(4,6-diamino-1,3,5-triazin-2-yl)amino]phenoxy]methoxy]phenyl]-2-N-(2,6-diaminopyrimidin-4-yl)-1,3,5-triazine-2,4,6-triamine;2-N-[4-[5-[4-[[4,6-bis(octylamino)-1,3,5-triazin-2-yl]amino]phenoxy]pentoxy]phenyl]-4-N,6-N-dioctyl-1,3,5-triazine-2,4,6-triamine;4-N-butyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4-N-decyl-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-hexyl-1,3,5-triazine-2,4,6-triamine;2-N-(4-ethoxyphenyl)-4-N-octyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 159810623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).