4-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-4-oxobutanoic acid;[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-2-oxoethyl] acetate;3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propan-1-ol;1-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;N'-cyclohexyl-N-[[4-[[[4-[4-(2-methoxyethyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-methyl-6-[4-(3-methylsulfanylpropyl)piperazin-1-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine

C181H289N43O13S — CID 158940635

About 4-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-4-oxobutanoic acid;[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-2-oxoethyl] acetate;3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propan-1-ol;1-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;N'-cyclohexyl-N-[[4-[[[4-[4-(2-methoxyethyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-methyl-6-[4-(3-methylsulfanylpropyl)piperazin-1-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine

4-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-4-oxobutanoic acid;[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-2-oxoethyl] acetate;3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propan-1-ol;1-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;N'-cyclohexyl-N-[[4-[[[4-[4-(2-methoxyethyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-methyl-6-[4-(3-methylsulfanylpropyl)piperazin-1-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine (PubChem CID 158940635) has the molecular formula C181H289N43O13S and a molecular weight of 3307.66 g/mol. Its IUPAC name is 4-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-4-oxobutanoic acid;[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-2-oxoethyl] acetate;3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propan-1-ol;1-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;N'-cyclohexyl-N-[[4-[[[4-[4-(2-methoxyethyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-methyl-6-[4-(3-methylsulfanylpropyl)piperazin-1-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine.

Molecular Properties

• Compound Name: 4-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-4-oxobutanoic acid;[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-2-oxoethyl] acetate;3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propan-1-ol;1-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;N'-cyclohexyl-N-[[4-[[[4-[4-(2-methoxyethyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-methyl-6-[4-(3-methylsulfanylpropyl)piperazin-1-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine
• PubChem CID: 158940635
• Molecular Formula: C181H289N43O13S
• Molecular Weight: 3307.66 g/mol
• Exact Mass: 3305.30
• IUPAC Name: 4-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-4-oxobutanoic acid;[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-2-oxoethyl] acetate;3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propan-1-ol;1-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;N'-cyclohexyl-N-[[4-[[[4-[4-(2-methoxyethyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-methyl-6-[4-(3-methylsulfanylpropyl)piperazin-1-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine
• SMILES: CCOCCN1CCN(c2cc(NC(=O)CCC(=O)O)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.CCOCCN1CCN(c2cc(NC(=O)COC(C)=O)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.COCCN1CCN(c2cc(C)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.COCCOCC(=O)N1CCN(c2cc(C)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.CSCCCN1CCN(c2cc(C)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.Cc1cc(NCCCO)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1
• InChI: InChI=1S/2C33H52N8O4.C31H49N7O3.C30H49N7S.C29H47N7O.C25H40N6O/c1-3-44-21-20-40-16-18-41(19-17-40)31-22-30(37-32(43)25-45-26(2)42)38-33(39-31)36-24-28-12-10-27(11-13-28)23-34-14-7-15-35-29-8-5-4-6-9-29;1-2-45-22-21-40-17-19-41(20-18-40)30-23-29(37-31(42)13-14-32(43)44)38-33(39-30)36-25-27-11-9-26(10-12-27)24-34-15-6-16-35-28-7-4-3-5-8-28;1-25-21-29(37-15-17-38(18-16-37)30(39)24-41-20-19-40-2)36-31(35-25)34-23-27-11-9-26(10-12-27)22-32-13-6-14-33-28-7-4-3-5-8-28;1-25-22-29(37-19-17-36(18-20-37)16-7-21-38-2)35-30(34-25)33-24-27-12-10-26(11-13-27)23-31-14-6-15-32-28-8-4-3-5-9-28;1-24-21-28(36-17-15-35(16-18-36)19-20-37-2)34-29(33-24)32-23-26-11-9-25(10-12-26)22-30-13-6-14-31-27-7-4-3-5-8-27;1-20-17-24(28-15-6-16-32)31-25(30-20)29-19-22-11-9-21(10-12-22)18-26-13-5-14-27-23-7-3-2-4-8-23/h10-13,22,29,34-35H,3-9,14-21,23-25H2,1-2H3,(H2,36,37,38,39,43);9-12,23,28,34-35H,2-8,13-22,24-25H2,1H3,(H,43,44)(H2,36,37,38,39,42);9-12,21,28,32-33H,3-8,13-20,22-24H2,1-2H3,(H,34,35,36);10-13,22,28,31-32H,3-9,14-21,23-24H2,1-2H3,(H,33,34,35);9-12,21,27,30-31H,3-8,13-20,22-23H2,1-2H3,(H,32,33,34);9-12,17,23,26-27,32H,2-8,13-16,18-19H2,1H3,(H2,28,29,30,31)
• InChIKey: JKEVTNYCCHRMLK-UHFFFAOYSA-N
• XLogP: 21.55
• TPSA: 620.90 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 53
• Rotatable Bonds: 96
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3307.66
LogP ≤ 5	21.55
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-4-oxobutanoic acid;[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-2-oxoethyl] acetate;3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propan-1-ol;1-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;N'-cyclohexyl-N-[[4-[[[4-[4-(2-methoxyethyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-methyl-6-[4-(3-methylsulfanylpropyl)piperazin-1-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine?

The IUPAC name of 4-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-4-oxobutanoic acid;[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-2-oxoethyl] acetate;3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propan-1-ol;1-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;N'-cyclohexyl-N-[[4-[[[4-[4-(2-methoxyethyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-methyl-6-[4-(3-methylsulfanylpropyl)piperazin-1-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine (CID 158940635) is 4-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-4-oxobutanoic acid;[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-2-oxoethyl] acetate;3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propan-1-ol;1-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;N'-cyclohexyl-N-[[4-[[[4-[4-(2-methoxyethyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-methyl-6-[4-(3-methylsulfanylpropyl)piperazin-1-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine.

What is the SMILES notation for 4-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-4-oxobutanoic acid;[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-2-oxoethyl] acetate;3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propan-1-ol;1-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;N'-cyclohexyl-N-[[4-[[[4-[4-(2-methoxyethyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-methyl-6-[4-(3-methylsulfanylpropyl)piperazin-1-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine?

The canonical SMILES for 4-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-4-oxobutanoic acid;[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-2-oxoethyl] acetate;3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propan-1-ol;1-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;N'-cyclohexyl-N-[[4-[[[4-[4-(2-methoxyethyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-methyl-6-[4-(3-methylsulfanylpropyl)piperazin-1-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine is CCOCCN1CCN(c2cc(NC(=O)CCC(=O)O)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.CCOCCN1CCN(c2cc(NC(=O)COC(C)=O)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.COCCN1CCN(c2cc(C)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.COCCOCC(=O)N1CCN(c2cc(C)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.CSCCCN1CCN(c2cc(C)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.Cc1cc(NCCCO)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.

What is the InChIKey of 4-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-4-oxobutanoic acid;[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-2-oxoethyl] acetate;3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propan-1-ol;1-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;N'-cyclohexyl-N-[[4-[[[4-[4-(2-methoxyethyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-methyl-6-[4-(3-methylsulfanylpropyl)piperazin-1-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine?

The InChIKey is JKEVTNYCCHRMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H52N8O4.C31H49N7O3.C30H49N7S.C29H47N7O.C25H40N6O/c1-3-44-21-20-40-16-18-41(19-17-40)31-22-30(37-32(43)25-45-26(2)42)38-33(39-31)36-24-28-12-10-27(11-13-28)23-34-14-7-15-35-29-8-5-4-6-9-29;1-2-45-22-21-40-17-19-41(20-18-40)30-23-29(37-31(42)13-14-32(43)44)38-33(39-30)36-25-27-11-9-26(10-12-27)24-34-15-6-16-35-28-7-4-3-5-8-28;1-25-21-29(37-15-17-38(18-16-37)30(39)24-41-20-19-40-2)36-31(35-25)34-23-27-11-9-26(10-12-27)22-32-13-6-14-33-28-7-4-3-5-8-28;1-25-22-29(37-19-17-36(18-20-37)16-7-21-38-2)35-30(34-25)33-24-27-12-10-26(11-13-27)23-31-14-6-15-32-28-8-4-3-5-9-28;1-24-21-28(36-17-15-35(16-18-36)19-20-37-2)34-29(33-24)32-23-26-11-9-25(10-12-26)22-30-13-6-14-31-27-7-4-3-5-8-27;1-20-17-24(28-15-6-16-32)31-25(30-20)29-19-22-11-9-21(10-12-22)18-26-13-5-14-27-23-7-3-2-4-8-23/h10-13,22,29,34-35H,3-9,14-21,23-25H2,1-2H3,(H2,36,37,38,39,43);9-12,23,28,34-35H,2-8,13-22,24-25H2,1H3,(H,43,44)(H2,36,37,38,39,42);9-12,21,28,32-33H,3-8,13-20,22-24H2,1-2H3,(H,34,35,36);10-13,22,28,31-32H,3-9,14-21,23-24H2,1-2H3,(H,33,34,35);9-12,21,27,30-31H,3-8,13-20,22-23H2,1-2H3,(H,32,33,34);9-12,17,23,26-27,32H,2-8,13-16,18-19H2,1H3,(H2,28,29,30,31).

What are the key properties of 4-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-4-oxobutanoic acid;[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-2-oxoethyl] acetate;3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propan-1-ol;1-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;N'-cyclohexyl-N-[[4-[[[4-[4-(2-methoxyethyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-methyl-6-[4-(3-methylsulfanylpropyl)piperazin-1-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine?

4-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-4-oxobutanoic acid;[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-2-oxoethyl] acetate;3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propan-1-ol;1-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;N'-cyclohexyl-N-[[4-[[[4-[4-(2-methoxyethyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-methyl-6-[4-(3-methylsulfanylpropyl)piperazin-1-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine has a molecular weight of 3307.66 g/mol, XLogP of 21.55, 96 rotatable bonds, 23 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-4-oxobutanoic acid;[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-2-oxoethyl] acetate;3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propan-1-ol;1-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;N'-cyclohexyl-N-[[4-[[[4-[4-(2-methoxyethyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-methyl-6-[4-(3-methylsulfanylpropyl)piperazin-1-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine is sourced from PubChem (CID 158940635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).