6-N-[2-(2-aminoethoxy)-3-[5-(1-aminoethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4-N-[2-(2-aminoethoxy)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-bromophenyl]-4-N-[2-(2-aminoethylsulfanyl)-5-bromo-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)phenyl]-4-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]phenyl]-4-N-[5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[2-(2-aminoethylsulfanyl)-4-propylsulfanyl-5-(trifluoromethyl)phenyl]-4-N-[2,4-bis(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide

C173H227Br2Cl2F12N63O20S10 — CID 157063118

About 6-N-[2-(2-aminoethoxy)-3-[5-(1-aminoethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4-N-[2-(2-aminoethoxy)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-bromophenyl]-4-N-[2-(2-aminoethylsulfanyl)-5-bromo-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)phenyl]-4-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]phenyl]-4-N-[5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[2-(2-aminoethylsulfanyl)-4-propylsulfanyl-5-(trifluoromethyl)phenyl]-4-N-[2,4-bis(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide

6-N-[2-(2-aminoethoxy)-3-[5-(1-aminoethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4-N-[2-(2-aminoethoxy)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-bromophenyl]-4-N-[2-(2-aminoethylsulfanyl)-5-bromo-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)phenyl]-4-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]phenyl]-4-N-[5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[2-(2-aminoethylsulfanyl)-4-propylsulfanyl-5-(trifluoromethyl)phenyl]-4-N-[2,4-bis(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide (PubChem CID 157063118) has the molecular formula C173H227Br2Cl2F12N63O20S10 and a molecular weight of 4288.50 g/mol. Its IUPAC name is 6-N-[2-(2-aminoethoxy)-3-[5-(1-aminoethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4-N-[2-(2-aminoethoxy)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-bromophenyl]-4-N-[2-(2-aminoethylsulfanyl)-5-bromo-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)phenyl]-4-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]phenyl]-4-N-[5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[2-(2-aminoethylsulfanyl)-4-propylsulfanyl-5-(trifluoromethyl)phenyl]-4-N-[2,4-bis(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide.

Molecular Properties

• Compound Name: 6-N-[2-(2-aminoethoxy)-3-[5-(1-aminoethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4-N-[2-(2-aminoethoxy)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-bromophenyl]-4-N-[2-(2-aminoethylsulfanyl)-5-bromo-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)phenyl]-4-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]phenyl]-4-N-[5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[2-(2-aminoethylsulfanyl)-4-propylsulfanyl-5-(trifluoromethyl)phenyl]-4-N-[2,4-bis(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide
• PubChem CID: 157063118
• Molecular Formula: C173H227Br2Cl2F12N63O20S10
• Molecular Weight: 4288.50 g/mol
• Exact Mass: 4282.34
• IUPAC Name: 6-N-[2-(2-aminoethoxy)-3-[5-(1-aminoethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4-N-[2-(2-aminoethoxy)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-bromophenyl]-4-N-[2-(2-aminoethylsulfanyl)-5-bromo-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)phenyl]-4-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]phenyl]-4-N-[5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[2-(2-aminoethylsulfanyl)-4-propylsulfanyl-5-(trifluoromethyl)phenyl]-4-N-[2,4-bis(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide
• SMILES: C/C(N)=N\CCCCC(=O)Nc1cc(Br)cc(NC(=O)c2cc(C(=O)Nc3cc(Br)cc(NC(=O)CCCCN=C(N)N)c3SCCN)ncn2)c1SCCN.C/C(N)=N\CCCCC(=O)Nc1cc(C(F)(F)F)cc(NC(=O)c2cc(C(=O)Nc3cc(C(F)(F)F)cc(NC(=O)CCCCN=C(N)N)c3OCCN)ncn2)c1OCCN.C/C(N)=N\CCCCC(=O)Nc1cc(Cl)cc(NC(=O)c2cc(C(=O)Nc3cc(Cl)cc(NC(=O)CCCCN=C(N)N)c3SCCN=C(N)N)ncn2)c1SCCN=C(N)N.C/C(N)=N\CCCCC(=O)Nc1cccc(NC(=O)c2cc(C(=O)Nc3cccc(NC(=O)CCCCN=C(N)N)c3SCCN)ncn2)c1SCCN.CCCSc1cc(SCCN)c(NC(=O)c2cc(C(=O)Nc3cc(C(F)(F)F)c(SCCN)cc3SCCN)ncn2)cc1C(F)(F)F
• InChI: InChI=1S/C37H51Cl2N17O4S2.C37H47F6N13O6.C35H47Br2N13O4S2.C35H49N13O4S2.C29H33F6N7O2S4/c1-20(40)47-8-4-2-6-29(57)53-23-14-21(38)16-25(31(23)61-12-10-49-36(43)44)55-33(59)27-18-28(52-19-51-27)34(60)56-26-17-22(39)15-24(32(26)62-13-11-50-37(45)46)54-30(58)7-3-5-9-48-35(41)42;1-20(46)49-10-4-2-6-29(57)53-23-14-21(36(38,39)40)16-25(31(23)61-12-8-44)55-33(59)27-18-28(52-19-51-27)34(60)56-26-17-22(37(41,42)43)15-24(32(26)62-13-9-45)54-30(58)7-3-5-11-50-35(47)48;1-20(40)43-10-4-2-6-29(51)47-23-14-21(36)16-25(31(23)55-12-8-38)49-33(53)27-18-28(46-19-45-27)34(54)50-26-17-22(37)15-24(32(26)56-13-9-39)48-30(52)7-3-5-11-44-35(41)42;1-22(38)41-16-4-2-12-29(49)45-23-8-6-10-25(31(23)53-18-14-36)47-33(51)27-20-28(44-21-43-27)34(52)48-26-11-7-9-24(32(26)54-19-15-37)46-30(50)13-3-5-17-42-35(39)40;1-2-6-45-22-13-24(47-8-4-37)18(10-16(22)28(30,31)32)41-26(43)20-12-21(40-15-39-20)27(44)42-19-11-17(29(33,34)35)23(46-7-3-36)14-25(19)48-9-5-38/h14-19H,2-13H2,1H3,(H2,40,47)(H,53,57)(H,54,58)(H,55,59)(H,56,60)(H4,41,42,48)(H4,43,44,49)(H4,45,46,50);14-19H,2-13,44-45H2,1H3,(H2,46,49)(H,53,57)(H,54,58)(H,55,59)(H,56,60)(H4,47,48,50);14-19H,2-13,38-39H2,1H3,(H2,40,43)(H,47,51)(H,48,52)(H,49,53)(H,50,54)(H4,41,42,44);6-11,20-21H,2-5,12-19,36-37H2,1H3,(H2,38,41)(H,45,49)(H,46,50)(H,47,51)(H,48,52)(H4,39,40,42);10-15H,2-9,36-38H2,1H3,(H,41,43)(H,42,44)
• InChIKey: ABOASLFHIKCWFH-UHFFFAOYSA-N
• XLogP: 20.55
• TPSA: 1445.26 Ų
• H-Bond Donors: 43
• H-Bond Acceptors: 59
• Rotatable Bonds: 106
• Heavy Atoms: 282
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4288.50
LogP ≤ 5	20.55
H-Bond Donors ≤ 5	43
H-Bond Acceptors ≤ 10	59

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(2-aminoethoxy)-3-[5-(1-aminoethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4-N-[2-(2-aminoethoxy)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-bromophenyl]-4-N-[2-(2-aminoethylsulfanyl)-5-bromo-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)phenyl]-4-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]phenyl]-4-N-[5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[2-(2-aminoethylsulfanyl)-4-propylsulfanyl-5-(trifluoromethyl)phenyl]-4-N-[2,4-bis(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide?

The IUPAC name of 6-N-[2-(2-aminoethoxy)-3-[5-(1-aminoethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4-N-[2-(2-aminoethoxy)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-bromophenyl]-4-N-[2-(2-aminoethylsulfanyl)-5-bromo-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)phenyl]-4-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]phenyl]-4-N-[5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[2-(2-aminoethylsulfanyl)-4-propylsulfanyl-5-(trifluoromethyl)phenyl]-4-N-[2,4-bis(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide (CID 157063118) is 6-N-[2-(2-aminoethoxy)-3-[5-(1-aminoethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4-N-[2-(2-aminoethoxy)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-bromophenyl]-4-N-[2-(2-aminoethylsulfanyl)-5-bromo-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)phenyl]-4-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]phenyl]-4-N-[5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[2-(2-aminoethylsulfanyl)-4-propylsulfanyl-5-(trifluoromethyl)phenyl]-4-N-[2,4-bis(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide.

What is the SMILES notation for 6-N-[2-(2-aminoethoxy)-3-[5-(1-aminoethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4-N-[2-(2-aminoethoxy)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-bromophenyl]-4-N-[2-(2-aminoethylsulfanyl)-5-bromo-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)phenyl]-4-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]phenyl]-4-N-[5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[2-(2-aminoethylsulfanyl)-4-propylsulfanyl-5-(trifluoromethyl)phenyl]-4-N-[2,4-bis(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide?

The canonical SMILES for 6-N-[2-(2-aminoethoxy)-3-[5-(1-aminoethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4-N-[2-(2-aminoethoxy)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-bromophenyl]-4-N-[2-(2-aminoethylsulfanyl)-5-bromo-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)phenyl]-4-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]phenyl]-4-N-[5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[2-(2-aminoethylsulfanyl)-4-propylsulfanyl-5-(trifluoromethyl)phenyl]-4-N-[2,4-bis(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide is C/C(N)=N\CCCCC(=O)Nc1cc(Br)cc(NC(=O)c2cc(C(=O)Nc3cc(Br)cc(NC(=O)CCCCN=C(N)N)c3SCCN)ncn2)c1SCCN.C/C(N)=N\CCCCC(=O)Nc1cc(C(F)(F)F)cc(NC(=O)c2cc(C(=O)Nc3cc(C(F)(F)F)cc(NC(=O)CCCCN=C(N)N)c3OCCN)ncn2)c1OCCN.C/C(N)=N\CCCCC(=O)Nc1cc(Cl)cc(NC(=O)c2cc(C(=O)Nc3cc(Cl)cc(NC(=O)CCCCN=C(N)N)c3SCCN=C(N)N)ncn2)c1SCCN=C(N)N.C/C(N)=N\CCCCC(=O)Nc1cccc(NC(=O)c2cc(C(=O)Nc3cccc(NC(=O)CCCCN=C(N)N)c3SCCN)ncn2)c1SCCN.CCCSc1cc(SCCN)c(NC(=O)c2cc(C(=O)Nc3cc(C(F)(F)F)c(SCCN)cc3SCCN)ncn2)cc1C(F)(F)F.

What is the InChIKey of 6-N-[2-(2-aminoethoxy)-3-[5-(1-aminoethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4-N-[2-(2-aminoethoxy)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-bromophenyl]-4-N-[2-(2-aminoethylsulfanyl)-5-bromo-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)phenyl]-4-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]phenyl]-4-N-[5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[2-(2-aminoethylsulfanyl)-4-propylsulfanyl-5-(trifluoromethyl)phenyl]-4-N-[2,4-bis(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide?

The InChIKey is ABOASLFHIKCWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H51Cl2N17O4S2.C37H47F6N13O6.C35H47Br2N13O4S2.C35H49N13O4S2.C29H33F6N7O2S4/c1-20(40)47-8-4-2-6-29(57)53-23-14-21(38)16-25(31(23)61-12-10-49-36(43)44)55-33(59)27-18-28(52-19-51-27)34(60)56-26-17-22(39)15-24(32(26)62-13-11-50-37(45)46)54-30(58)7-3-5-9-48-35(41)42;1-20(46)49-10-4-2-6-29(57)53-23-14-21(36(38,39)40)16-25(31(23)61-12-8-44)55-33(59)27-18-28(52-19-51-27)34(60)56-26-17-22(37(41,42)43)15-24(32(26)62-13-9-45)54-30(58)7-3-5-11-50-35(47)48;1-20(40)43-10-4-2-6-29(51)47-23-14-21(36)16-25(31(23)55-12-8-38)49-33(53)27-18-28(46-19-45-27)34(54)50-26-17-22(37)15-24(32(26)56-13-9-39)48-30(52)7-3-5-11-44-35(41)42;1-22(38)41-16-4-2-12-29(49)45-23-8-6-10-25(31(23)53-18-14-36)47-33(51)27-20-28(44-21-43-27)34(52)48-26-11-7-9-24(32(26)54-19-15-37)46-30(50)13-3-5-17-42-35(39)40;1-2-6-45-22-13-24(47-8-4-37)18(10-16(22)28(30,31)32)41-26(43)20-12-21(40-15-39-20)27(44)42-19-11-17(29(33,34)35)23(46-7-3-36)14-25(19)48-9-5-38/h14-19H,2-13H2,1H3,(H2,40,47)(H,53,57)(H,54,58)(H,55,59)(H,56,60)(H4,41,42,48)(H4,43,44,49)(H4,45,46,50);14-19H,2-13,44-45H2,1H3,(H2,46,49)(H,53,57)(H,54,58)(H,55,59)(H,56,60)(H4,47,48,50);14-19H,2-13,38-39H2,1H3,(H2,40,43)(H,47,51)(H,48,52)(H,49,53)(H,50,54)(H4,41,42,44);6-11,20-21H,2-5,12-19,36-37H2,1H3,(H2,38,41)(H,45,49)(H,46,50)(H,47,51)(H,48,52)(H4,39,40,42);10-15H,2-9,36-38H2,1H3,(H,41,43)(H,42,44).

What are the key properties of 6-N-[2-(2-aminoethoxy)-3-[5-(1-aminoethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4-N-[2-(2-aminoethoxy)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-bromophenyl]-4-N-[2-(2-aminoethylsulfanyl)-5-bromo-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)phenyl]-4-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]phenyl]-4-N-[5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[2-(2-aminoethylsulfanyl)-4-propylsulfanyl-5-(trifluoromethyl)phenyl]-4-N-[2,4-bis(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide?

6-N-[2-(2-aminoethoxy)-3-[5-(1-aminoethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4-N-[2-(2-aminoethoxy)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-bromophenyl]-4-N-[2-(2-aminoethylsulfanyl)-5-bromo-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)phenyl]-4-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]phenyl]-4-N-[5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[2-(2-aminoethylsulfanyl)-4-propylsulfanyl-5-(trifluoromethyl)phenyl]-4-N-[2,4-bis(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide has a molecular weight of 4288.50 g/mol, XLogP of 20.55, 106 rotatable bonds, 43 hydrogen bond donors, and 59 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[2-(2-aminoethoxy)-3-[5-(1-aminoethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]-4-N-[2-(2-aminoethoxy)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)-5-bromophenyl]-4-N-[2-(2-aminoethylsulfanyl)-5-bromo-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-2-(2-aminoethylsulfanyl)phenyl]-4-N-[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[3-[5-(1-aminoethylideneamino)pentanoylamino]-5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]phenyl]-4-N-[5-chloro-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide;6-N-[2-(2-aminoethylsulfanyl)-4-propylsulfanyl-5-(trifluoromethyl)phenyl]-4-N-[2,4-bis(2-aminoethylsulfanyl)-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 157063118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).