4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide

C150H244N46O3S5 — CID 162097842

About 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide

4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide (PubChem CID 162097842) has the molecular formula C150H244N46O3S5 and a molecular weight of 2900.26 g/mol. Its IUPAC name is 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide.

Molecular Properties

• Compound Name: 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide
• PubChem CID: 162097842
• Molecular Formula: C150H244N46O3S5
• Molecular Weight: 2900.26 g/mol
• Exact Mass: 2897.90
• IUPAC Name: 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide
• SMILES: CC(C)CNC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.CCNC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.COCCCNC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.COCCNC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.Nc1cc(N2CCN(C(=S)NCCCN3CCOCC3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1
• InChI: InChI=1S/C33H54N10OS.C30H49N9OS.C30H49N9S.C29H47N9OS.C28H45N9S/c34-30-24-31(42-16-18-43(19-17-42)33(45)37-14-5-15-41-20-22-44-23-21-41)40-32(39-30)38-26-28-10-8-27(9-11-28)25-35-12-4-13-36-29-6-2-1-3-7-29;1-40-20-6-15-34-30(41)39-18-16-38(17-19-39)28-21-27(31)36-29(37-28)35-23-25-11-9-24(10-12-25)22-32-13-5-14-33-26-7-3-2-4-8-26;1-23(2)20-35-30(40)39-17-15-38(16-18-39)28-19-27(31)36-29(37-28)34-22-25-11-9-24(10-12-25)21-32-13-6-14-33-26-7-4-3-5-8-26;1-39-19-14-33-29(40)38-17-15-37(16-18-38)27-20-26(30)35-28(36-27)34-22-24-10-8-23(9-11-24)21-31-12-5-13-32-25-6-3-2-4-7-25;1-2-31-28(38)37-17-15-36(16-18-37)26-19-25(29)34-27(35-26)33-21-23-11-9-22(10-12-23)20-30-13-6-14-32-24-7-4-3-5-8-24/h8-11,24,29,35-36H,1-7,12-23,25-26H2,(H,37,45)(H3,34,38,39,40);9-12,21,26,32-33H,2-8,13-20,22-23H2,1H3,(H,34,41)(H3,31,35,36,37);9-12,19,23,26,32-33H,3-8,13-18,20-22H2,1-2H3,(H,35,40)(H3,31,34,36,37);8-11,20,25,31-32H,2-7,12-19,21-22H2,1H3,(H,33,40)(H3,30,34,35,36);9-12,19,24,30,32H,2-8,13-18,20-21H2,1H3,(H,31,38)(H3,29,33,34,35)
• InChIKey: ZEMJXQNGIMDKND-UHFFFAOYSA-N
• XLogP: 15.43
• TPSA: 562.93 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 44
• Rotatable Bonds: 69
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2900.26
LogP ≤ 5	15.43
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide?

The IUPAC name of 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide (CID 162097842) is 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide.

What is the SMILES notation for 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide?

The canonical SMILES for 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide is CC(C)CNC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.CCNC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.COCCCNC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.COCCNC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.Nc1cc(N2CCN(C(=S)NCCCN3CCOCC3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.

What is the InChIKey of 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide?

The InChIKey is ZEMJXQNGIMDKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H54N10OS.C30H49N9OS.C30H49N9S.C29H47N9OS.C28H45N9S/c34-30-24-31(42-16-18-43(19-17-42)33(45)37-14-5-15-41-20-22-44-23-21-41)40-32(39-30)38-26-28-10-8-27(9-11-28)25-35-12-4-13-36-29-6-2-1-3-7-29;1-40-20-6-15-34-30(41)39-18-16-38(17-19-39)28-21-27(31)36-29(37-28)35-23-25-11-9-24(10-12-25)22-32-13-5-14-33-26-7-3-2-4-8-26;1-23(2)20-35-30(40)39-17-15-38(16-18-39)28-19-27(31)36-29(37-28)34-22-25-11-9-24(10-12-25)21-32-13-6-14-33-26-7-4-3-5-8-26;1-39-19-14-33-29(40)38-17-15-37(16-18-38)27-20-26(30)35-28(36-27)34-22-24-10-8-23(9-11-24)21-31-12-5-13-32-25-6-3-2-4-7-25;1-2-31-28(38)37-17-15-36(16-18-37)26-19-25(29)34-27(35-26)33-21-23-11-9-22(10-12-23)20-30-13-6-14-32-24-7-4-3-5-8-24/h8-11,24,29,35-36H,1-7,12-23,25-26H2,(H,37,45)(H3,34,38,39,40);9-12,21,26,32-33H,2-8,13-20,22-23H2,1H3,(H,34,41)(H3,31,35,36,37);9-12,19,23,26,32-33H,3-8,13-18,20-22H2,1-2H3,(H,35,40)(H3,31,34,36,37);8-11,20,25,31-32H,2-7,12-19,21-22H2,1H3,(H,33,40)(H3,30,34,35,36);9-12,19,24,30,32H,2-8,13-18,20-21H2,1H3,(H,31,38)(H3,29,33,34,35).

What are the key properties of 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide?

4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide has a molecular weight of 2900.26 g/mol, XLogP of 15.43, 69 rotatable bonds, 25 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-ethylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methoxyethyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-methoxypropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(2-methylpropyl)piperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-(3-morpholin-4-ylpropyl)piperazine-1-carbothioamide is sourced from PubChem (CID 162097842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).