4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-tert-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-cyclopropylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carbothioamide;methyl 2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]acetate;methyl 3-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]propanoate

C177H282N54O4S6 — CID 157247845

About 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-tert-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-cyclopropylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carbothioamide;methyl 2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]acetate;methyl 3-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]propanoate

4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-tert-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-cyclopropylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carbothioamide;methyl 2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]acetate;methyl 3-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]propanoate (PubChem CID 157247845) has the molecular formula C177H282N54O4S6 and a molecular weight of 3422.98 g/mol. Its IUPAC name is 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-tert-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-cyclopropylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carbothioamide;methyl 2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]acetate;methyl 3-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]propanoate.

Molecular Properties

• Compound Name: 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-tert-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-cyclopropylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carbothioamide;methyl 2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]acetate;methyl 3-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]propanoate
• PubChem CID: 157247845
• Molecular Formula: C177H282N54O4S6
• Molecular Weight: 3422.98 g/mol
• Exact Mass: 3420.18
• IUPAC Name: 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-tert-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-cyclopropylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carbothioamide;methyl 2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]acetate;methyl 3-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]propanoate
• SMILES: CC(C)(C)NC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.CC(C)NC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.CCCCNC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.COC(=O)CCNC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.COC(=O)CNC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.Nc1cc(N2CCN(C(=S)NC3CC3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1
• InChI: InChI=1S/C30H47N9O2S.2C30H49N9S.C29H45N9O2S.C29H45N9S.C29H47N9S/c1-41-28(40)12-15-34-30(42)39-18-16-38(17-19-39)27-20-26(31)36-29(37-27)35-22-24-10-8-23(9-11-24)21-32-13-5-14-33-25-6-3-2-4-7-25;1-30(2,3)37-29(40)39-18-16-38(17-19-39)27-20-26(31)35-28(36-27)34-22-24-12-10-23(11-13-24)21-32-14-7-15-33-25-8-5-4-6-9-25;1-2-3-15-34-30(40)39-19-17-38(18-20-39)28-21-27(31)36-29(37-28)35-23-25-12-10-24(11-13-25)22-32-14-7-16-33-26-8-5-4-6-9-26;1-40-27(39)21-34-29(41)38-16-14-37(15-17-38)26-18-25(30)35-28(36-26)33-20-23-10-8-22(9-11-23)19-31-12-5-13-32-24-6-3-2-4-7-24;30-26-19-27(37-15-17-38(18-16-37)29(39)34-25-11-12-25)36-28(35-26)33-21-23-9-7-22(8-10-23)20-31-13-4-14-32-24-5-2-1-3-6-24;1-22(2)34-29(39)38-17-15-37(16-18-38)27-19-26(30)35-28(36-27)33-21-24-11-9-23(10-12-24)20-31-13-6-14-32-25-7-4-3-5-8-25/h8-11,20,25,32-33H,2-7,12-19,21-22H2,1H3,(H,34,42)(H3,31,35,36,37);10-13,20,25,32-33H,4-9,14-19,21-22H2,1-3H3,(H,37,40)(H3,31,34,35,36);10-13,21,26,32-33H,2-9,14-20,22-23H2,1H3,(H,34,40)(H3,31,35,36,37);8-11,18,24,31-32H,2-7,12-17,19-21H2,1H3,(H,34,41)(H3,30,33,35,36);7-10,19,24-25,31-32H,1-6,11-18,20-21H2,(H,34,39)(H3,30,33,35,36);9-12,19,22,25,31-32H,3-8,13-18,20-21H2,1-2H3,(H,34,39)(H3,30,33,35,36)
• InChIKey: AVZLVNMOWWLDTH-UHFFFAOYSA-N
• XLogP: 19.32
• TPSA: 691.00 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 52
• Rotatable Bonds: 76
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3422.98
LogP ≤ 5	19.32
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	52

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-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-tert-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-cyclopropylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carbothioamide;methyl 2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]acetate;methyl 3-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]propanoate?

The IUPAC name of 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-tert-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-cyclopropylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carbothioamide;methyl 2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]acetate;methyl 3-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]propanoate (CID 157247845) is 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-tert-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-cyclopropylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carbothioamide;methyl 2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]acetate;methyl 3-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]propanoate.

What is the SMILES notation for 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-tert-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-cyclopropylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carbothioamide;methyl 2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]acetate;methyl 3-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]propanoate?

The canonical SMILES for 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-tert-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-cyclopropylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carbothioamide;methyl 2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]acetate;methyl 3-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]propanoate is CC(C)(C)NC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.CC(C)NC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.CCCCNC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.COC(=O)CCNC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.COC(=O)CNC(=S)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.Nc1cc(N2CCN(C(=S)NC3CC3)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-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-tert-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-cyclopropylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carbothioamide;methyl 2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]acetate;methyl 3-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]propanoate?

The InChIKey is AVZLVNMOWWLDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47N9O2S.2C30H49N9S.C29H45N9O2S.C29H45N9S.C29H47N9S/c1-41-28(40)12-15-34-30(42)39-18-16-38(17-19-39)27-20-26(31)36-29(37-27)35-22-24-10-8-23(9-11-24)21-32-13-5-14-33-25-6-3-2-4-7-25;1-30(2,3)37-29(40)39-18-16-38(17-19-39)27-20-26(31)35-28(36-27)34-22-24-12-10-23(11-13-24)21-32-14-7-15-33-25-8-5-4-6-9-25;1-2-3-15-34-30(40)39-19-17-38(18-20-39)28-21-27(31)36-29(37-28)35-23-25-12-10-24(11-13-25)22-32-14-7-16-33-26-8-5-4-6-9-26;1-40-27(39)21-34-29(41)38-16-14-37(15-17-38)26-18-25(30)35-28(36-26)33-20-23-10-8-22(9-11-23)19-31-12-5-13-32-24-6-3-2-4-7-24;30-26-19-27(37-15-17-38(18-16-37)29(39)34-25-11-12-25)36-28(35-26)33-21-23-9-7-22(8-10-23)20-31-13-4-14-32-24-5-2-1-3-6-24;1-22(2)34-29(39)38-17-15-37(16-18-38)27-19-26(30)35-28(36-27)33-21-24-11-9-23(10-12-24)20-31-13-6-14-32-25-7-4-3-5-8-25/h8-11,20,25,32-33H,2-7,12-19,21-22H2,1H3,(H,34,42)(H3,31,35,36,37);10-13,20,25,32-33H,4-9,14-19,21-22H2,1-3H3,(H,37,40)(H3,31,34,35,36);10-13,21,26,32-33H,2-9,14-20,22-23H2,1H3,(H,34,40)(H3,31,35,36,37);8-11,18,24,31-32H,2-7,12-17,19-21H2,1H3,(H,34,41)(H3,30,33,35,36);7-10,19,24-25,31-32H,1-6,11-18,20-21H2,(H,34,39)(H3,30,33,35,36);9-12,19,22,25,31-32H,3-8,13-18,20-21H2,1-2H3,(H,34,39)(H3,30,33,35,36).

What are the key properties of 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-tert-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-cyclopropylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carbothioamide;methyl 2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]acetate;methyl 3-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]propanoate?

4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-tert-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-cyclopropylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carbothioamide;methyl 2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]acetate;methyl 3-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]propanoate has a molecular weight of 3422.98 g/mol, XLogP of 19.32, 76 rotatable bonds, 30 hydrogen bond donors, and 52 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-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-tert-butylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-cyclopropylpiperazine-1-carbothioamide;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carbothioamide;methyl 2-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]acetate;methyl 3-[[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbothioyl]amino]propanoate is sourced from PubChem (CID 157247845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).