benzyl (2S)-2-amino-5-[4-[6-amino-2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-5-oxopentanoate;2-[4-[6-[[1-(7-cyclohexylheptyl)triazol-4-yl]methylamino]-7H-purin-2-yl]piperazin-1-yl]ethylphosphonic acid;N-[[1-(7-cyclohexylheptyl)triazol-4-yl]methyl]-2-piperazin-1-yl-7H-purin-6-amine;N'-cyclohexyl-N-[3-[4-[[(2-piperazin-1-yl-7H-purin-6-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate

C171H281N64O8P — CID 160627683

About benzyl (2S)-2-amino-5-[4-[6-amino-2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-5-oxopentanoate;2-[4-[6-[[1-(7-cyclohexylheptyl)triazol-4-yl]methylamino]-7H-purin-2-yl]piperazin-1-yl]ethylphosphonic acid;N-[[1-(7-cyclohexylheptyl)triazol-4-yl]methyl]-2-piperazin-1-yl-7H-purin-6-amine;N'-cyclohexyl-N-[3-[4-[[(2-piperazin-1-yl-7H-purin-6-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate

benzyl (2S)-2-amino-5-[4-[6-amino-2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-5-oxopentanoate;2-[4-[6-[[1-(7-cyclohexylheptyl)triazol-4-yl]methylamino]-7H-purin-2-yl]piperazin-1-yl]ethylphosphonic acid;N-[[1-(7-cyclohexylheptyl)triazol-4-yl]methyl]-2-piperazin-1-yl-7H-purin-6-amine;N'-cyclohexyl-N-[3-[4-[[(2-piperazin-1-yl-7H-purin-6-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate (PubChem CID 160627683) has the molecular formula C171H281N64O8P and a molecular weight of 3392.54 g/mol. Its IUPAC name is benzyl (2S)-2-amino-5-[4-[6-amino-2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-5-oxopentanoate;2-[4-[6-[[1-(7-cyclohexylheptyl)triazol-4-yl]methylamino]-7H-purin-2-yl]piperazin-1-yl]ethylphosphonic acid;N-[[1-(7-cyclohexylheptyl)triazol-4-yl]methyl]-2-piperazin-1-yl-7H-purin-6-amine;N'-cyclohexyl-N-[3-[4-[[(2-piperazin-1-yl-7H-purin-6-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: benzyl (2S)-2-amino-5-[4-[6-amino-2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-5-oxopentanoate;2-[4-[6-[[1-(7-cyclohexylheptyl)triazol-4-yl]methylamino]-7H-purin-2-yl]piperazin-1-yl]ethylphosphonic acid;N-[[1-(7-cyclohexylheptyl)triazol-4-yl]methyl]-2-piperazin-1-yl-7H-purin-6-amine;N'-cyclohexyl-N-[3-[4-[[(2-piperazin-1-yl-7H-purin-6-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate
• PubChem CID: 160627683
• Molecular Formula: C171H281N64O8P
• Molecular Weight: 3392.54 g/mol
• Exact Mass: 3390.33
• IUPAC Name: benzyl (2S)-2-amino-5-[4-[6-amino-2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-5-oxopentanoate;2-[4-[6-[[1-(7-cyclohexylheptyl)triazol-4-yl]methylamino]-7H-purin-2-yl]piperazin-1-yl]ethylphosphonic acid;N-[[1-(7-cyclohexylheptyl)triazol-4-yl]methyl]-2-piperazin-1-yl-7H-purin-6-amine;N'-cyclohexyl-N-[3-[4-[[(2-piperazin-1-yl-7H-purin-6-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate
• SMILES: CCOC(=O)N1CCN(c2cc(N3CCCCC3)nc(NCc3cn(CCCNCCCC4CCCCC4)nn3)n2)CC1.CN1CCN(c2cc(N3CCCCC3)nc(NCc3cn(CCCNCCCC4CCCCC4)nn3)n2)CC1.Nc1cc(N2CCN(C(=O)CC[C@H](N)C(=O)OCc3ccccc3)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1.O=P(O)(O)CCN1CCN(c2nc(NCc3cn(CCCCCCCC4CCCCC4)nn3)c3[nH]cnc3n2)CC1.c1nc2nc(N3CCNCC3)nc(NCc3cn(CCCCCCCC4CCCCC4)nn3)c2[nH]1.c1nc2nc(N3CCNCC3)nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)c2[nH]1
• InChI: InChI=1S/C35H54N12O3.C31H52N10O2.C29H50N10.C27H45N10O3P.C25H40N10.C24H40N12/c36-30(34(49)50-26-27-9-3-1-4-10-27)13-14-33(48)46-21-19-45(20-22-46)32-23-31(37)41-35(42-32)40-24-29-25-47(44-43-29)18-8-16-38-15-7-17-39-28-11-5-2-6-12-28;1-2-43-31(42)40-21-19-39(20-22-40)29-23-28(38-16-7-4-8-17-38)34-30(35-29)33-24-27-25-41(37-36-27)18-10-15-32-14-9-13-26-11-5-3-6-12-26;1-36-18-20-38(21-19-36)28-22-27(37-15-6-3-7-16-37)32-29(33-28)31-23-26-24-39(35-34-26)17-9-14-30-13-8-12-25-10-4-2-5-11-25;38-41(39,40)18-17-35-13-15-36(16-14-35)27-31-25(24-26(32-27)30-21-29-24)28-19-23-20-37(34-33-23)12-8-3-1-2-5-9-22-10-6-4-7-11-22;1(2-5-9-20-10-6-4-7-11-20)3-8-14-35-18-21(32-33-35)17-27-23-22-24(29-19-28-22)31-25(30-23)34-15-12-26-13-16-34;1-2-6-19(7-3-1)27-10-4-8-25-9-5-13-36-17-20(33-34-36)16-28-22-21-23(30-18-29-21)32-24(31-22)35-14-11-26-12-15-35/h1,3-4,9-10,23,25,28,30,38-39H,2,5-8,11-22,24,26,36H2,(H3,37,40,41,42);23,25-26,32H,2-22,24H2,1H3,(H,33,34,35);22,24-25,30H,2-21,23H2,1H3,(H,31,32,33);20-22H,1-19H2,(H2,38,39,40)(H2,28,29,30,31,32);18-20,26H,1-17H2,(H2,27,28,29,30,31);17-19,25-27H,1-16H2,(H2,28,29,30,31,32)/t30-;;;;;/m0...../s1
• InChIKey: RHNFEPZYXBXJFB-DEHQHIEVSA-N
• XLogP: 19.03
• TPSA: 811.52 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 65
• Rotatable Bonds: 86
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3392.54
LogP ≤ 5	19.03
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	65

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-amino-5-[4-[6-amino-2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-5-oxopentanoate;2-[4-[6-[[1-(7-cyclohexylheptyl)triazol-4-yl]methylamino]-7H-purin-2-yl]piperazin-1-yl]ethylphosphonic acid;N-[[1-(7-cyclohexylheptyl)triazol-4-yl]methyl]-2-piperazin-1-yl-7H-purin-6-amine;N'-cyclohexyl-N-[3-[4-[[(2-piperazin-1-yl-7H-purin-6-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate?

The IUPAC name of benzyl (2S)-2-amino-5-[4-[6-amino-2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-5-oxopentanoate;2-[4-[6-[[1-(7-cyclohexylheptyl)triazol-4-yl]methylamino]-7H-purin-2-yl]piperazin-1-yl]ethylphosphonic acid;N-[[1-(7-cyclohexylheptyl)triazol-4-yl]methyl]-2-piperazin-1-yl-7H-purin-6-amine;N'-cyclohexyl-N-[3-[4-[[(2-piperazin-1-yl-7H-purin-6-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate (CID 160627683) is benzyl (2S)-2-amino-5-[4-[6-amino-2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-5-oxopentanoate;2-[4-[6-[[1-(7-cyclohexylheptyl)triazol-4-yl]methylamino]-7H-purin-2-yl]piperazin-1-yl]ethylphosphonic acid;N-[[1-(7-cyclohexylheptyl)triazol-4-yl]methyl]-2-piperazin-1-yl-7H-purin-6-amine;N'-cyclohexyl-N-[3-[4-[[(2-piperazin-1-yl-7H-purin-6-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate.

What is the SMILES notation for benzyl (2S)-2-amino-5-[4-[6-amino-2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-5-oxopentanoate;2-[4-[6-[[1-(7-cyclohexylheptyl)triazol-4-yl]methylamino]-7H-purin-2-yl]piperazin-1-yl]ethylphosphonic acid;N-[[1-(7-cyclohexylheptyl)triazol-4-yl]methyl]-2-piperazin-1-yl-7H-purin-6-amine;N'-cyclohexyl-N-[3-[4-[[(2-piperazin-1-yl-7H-purin-6-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate?

The canonical SMILES for benzyl (2S)-2-amino-5-[4-[6-amino-2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-5-oxopentanoate;2-[4-[6-[[1-(7-cyclohexylheptyl)triazol-4-yl]methylamino]-7H-purin-2-yl]piperazin-1-yl]ethylphosphonic acid;N-[[1-(7-cyclohexylheptyl)triazol-4-yl]methyl]-2-piperazin-1-yl-7H-purin-6-amine;N'-cyclohexyl-N-[3-[4-[[(2-piperazin-1-yl-7H-purin-6-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cc(N3CCCCC3)nc(NCc3cn(CCCNCCCC4CCCCC4)nn3)n2)CC1.CN1CCN(c2cc(N3CCCCC3)nc(NCc3cn(CCCNCCCC4CCCCC4)nn3)n2)CC1.Nc1cc(N2CCN(C(=O)CC[C@H](N)C(=O)OCc3ccccc3)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1.O=P(O)(O)CCN1CCN(c2nc(NCc3cn(CCCCCCCC4CCCCC4)nn3)c3[nH]cnc3n2)CC1.c1nc2nc(N3CCNCC3)nc(NCc3cn(CCCCCCCC4CCCCC4)nn3)c2[nH]1.c1nc2nc(N3CCNCC3)nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)c2[nH]1.

What is the InChIKey of benzyl (2S)-2-amino-5-[4-[6-amino-2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-5-oxopentanoate;2-[4-[6-[[1-(7-cyclohexylheptyl)triazol-4-yl]methylamino]-7H-purin-2-yl]piperazin-1-yl]ethylphosphonic acid;N-[[1-(7-cyclohexylheptyl)triazol-4-yl]methyl]-2-piperazin-1-yl-7H-purin-6-amine;N'-cyclohexyl-N-[3-[4-[[(2-piperazin-1-yl-7H-purin-6-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate?

The InChIKey is RHNFEPZYXBXJFB-DEHQHIEVSA-N. The full InChI is InChI=1S/C35H54N12O3.C31H52N10O2.C29H50N10.C27H45N10O3P.C25H40N10.C24H40N12/c36-30(34(49)50-26-27-9-3-1-4-10-27)13-14-33(48)46-21-19-45(20-22-46)32-23-31(37)41-35(42-32)40-24-29-25-47(44-43-29)18-8-16-38-15-7-17-39-28-11-5-2-6-12-28;1-2-43-31(42)40-21-19-39(20-22-40)29-23-28(38-16-7-4-8-17-38)34-30(35-29)33-24-27-25-41(37-36-27)18-10-15-32-14-9-13-26-11-5-3-6-12-26;1-36-18-20-38(21-19-36)28-22-27(37-15-6-3-7-16-37)32-29(33-28)31-23-26-24-39(35-34-26)17-9-14-30-13-8-12-25-10-4-2-5-11-25;38-41(39,40)18-17-35-13-15-36(16-14-35)27-31-25(24-26(32-27)30-21-29-24)28-19-23-20-37(34-33-23)12-8-3-1-2-5-9-22-10-6-4-7-11-22;1(2-5-9-20-10-6-4-7-11-20)3-8-14-35-18-21(32-33-35)17-27-23-22-24(29-19-28-22)31-25(30-23)34-15-12-26-13-16-34;1-2-6-19(7-3-1)27-10-4-8-25-9-5-13-36-17-20(33-34-36)16-28-22-21-23(30-18-29-21)32-24(31-22)35-14-11-26-12-15-35/h1,3-4,9-10,23,25,28,30,38-39H,2,5-8,11-22,24,26,36H2,(H3,37,40,41,42);23,25-26,32H,2-22,24H2,1H3,(H,33,34,35);22,24-25,30H,2-21,23H2,1H3,(H,31,32,33);20-22H,1-19H2,(H2,38,39,40)(H2,28,29,30,31,32);18-20,26H,1-17H2,(H2,27,28,29,30,31);17-19,25-27H,1-16H2,(H2,28,29,30,31,32)/t30-;;;;;/m0...../s1.

What are the key properties of benzyl (2S)-2-amino-5-[4-[6-amino-2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-5-oxopentanoate;2-[4-[6-[[1-(7-cyclohexylheptyl)triazol-4-yl]methylamino]-7H-purin-2-yl]piperazin-1-yl]ethylphosphonic acid;N-[[1-(7-cyclohexylheptyl)triazol-4-yl]methyl]-2-piperazin-1-yl-7H-purin-6-amine;N'-cyclohexyl-N-[3-[4-[[(2-piperazin-1-yl-7H-purin-6-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate?

benzyl (2S)-2-amino-5-[4-[6-amino-2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-5-oxopentanoate;2-[4-[6-[[1-(7-cyclohexylheptyl)triazol-4-yl]methylamino]-7H-purin-2-yl]piperazin-1-yl]ethylphosphonic acid;N-[[1-(7-cyclohexylheptyl)triazol-4-yl]methyl]-2-piperazin-1-yl-7H-purin-6-amine;N'-cyclohexyl-N-[3-[4-[[(2-piperazin-1-yl-7H-purin-6-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate has a molecular weight of 3392.54 g/mol, XLogP of 19.03, 86 rotatable bonds, 21 hydrogen bond donors, and 65 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (2S)-2-amino-5-[4-[6-amino-2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-5-oxopentanoate;2-[4-[6-[[1-(7-cyclohexylheptyl)triazol-4-yl]methylamino]-7H-purin-2-yl]piperazin-1-yl]ethylphosphonic acid;N-[[1-(7-cyclohexylheptyl)triazol-4-yl]methyl]-2-piperazin-1-yl-7H-purin-6-amine;N'-cyclohexyl-N-[3-[4-[[(2-piperazin-1-yl-7H-purin-6-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 160627683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).