1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methoxypropan-1-one;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;methyl 4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-4-oxobutanoate

C172H268N48O15 — CID 159093934

About 1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methoxypropan-1-one;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;methyl 4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-4-oxobutanoate

1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methoxypropan-1-one;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;methyl 4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-4-oxobutanoate (PubChem CID 159093934) has the molecular formula C172H268N48O15 and a molecular weight of 3248.36 g/mol. Its IUPAC name is 1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methoxypropan-1-one;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;methyl 4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-4-oxobutanoate.

Molecular Properties

• Compound Name: 1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methoxypropan-1-one;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;methyl 4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-4-oxobutanoate
• PubChem CID: 159093934
• Molecular Formula: C172H268N48O15
• Molecular Weight: 3248.36 g/mol
• Exact Mass: 3246.17
• IUPAC Name: 1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methoxypropan-1-one;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;methyl 4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-4-oxobutanoate
• SMILES: COC(=O)CCC(=O)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.COCC(=O)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.COCCC(=O)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.COCCOCC(=O)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.Nc1cc(N2CCN(C(=O)CC(=O)O)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(C(=O)CO)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1
• InChI: InChI=1S/C30H46N8O3.C30H48N8O3.C29H46N8O2.C28H42N8O3.C28H44N8O2.C27H42N8O2/c1-41-29(40)13-12-28(39)38-18-16-37(17-19-38)27-20-26(31)35-30(36-27)34-22-24-10-8-23(9-11-24)21-32-14-5-15-33-25-6-3-2-4-7-25;1-40-18-19-41-23-29(39)38-16-14-37(15-17-38)28-20-27(31)35-30(36-28)34-22-25-10-8-24(9-11-25)21-32-12-5-13-33-26-6-3-2-4-7-26;1-39-19-12-28(38)37-17-15-36(16-18-37)27-20-26(30)34-29(35-27)33-22-24-10-8-23(9-11-24)21-31-13-5-14-32-25-6-3-2-4-7-25;29-24-17-25(35-13-15-36(16-14-35)26(37)18-27(38)39)34-28(33-24)32-20-22-9-7-21(8-10-22)19-30-11-4-12-31-23-5-2-1-3-6-23;1-38-21-27(37)36-16-14-35(15-17-36)26-18-25(29)33-28(34-26)32-20-23-10-8-22(9-11-23)19-30-12-5-13-31-24-6-3-2-4-7-24;28-24-17-25(34-13-15-35(16-14-34)26(37)20-36)33-27(32-24)31-19-22-9-7-21(8-10-22)18-29-11-4-12-30-23-5-2-1-3-6-23/h8-11,20,25,32-33H,2-7,12-19,21-22H2,1H3,(H3,31,34,35,36);8-11,20,26,32-33H,2-7,12-19,21-23H2,1H3,(H3,31,34,35,36);8-11,20,25,31-32H,2-7,12-19,21-22H2,1H3,(H3,30,33,34,35);7-10,17,23,30-31H,1-6,11-16,18-20H2,(H,38,39)(H3,29,32,33,34);8-11,18,24,30-31H,2-7,12-17,19-21H2,1H3,(H3,29,32,33,34);7-10,17,23,29-30,36H,1-6,11-16,18-20H2,(H3,28,31,32,33)
• InChIKey: KCKPDOCNKKQITK-UHFFFAOYSA-N
• XLogP: 14.10
• TPSA: 789.39 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 56
• Rotatable Bonds: 82
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3248.36
LogP ≤ 5	14.10
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methoxypropan-1-one;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;methyl 4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-4-oxobutanoate?

The IUPAC name of 1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methoxypropan-1-one;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;methyl 4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-4-oxobutanoate (CID 159093934) is 1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methoxypropan-1-one;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;methyl 4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-4-oxobutanoate.

What is the SMILES notation for 1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methoxypropan-1-one;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;methyl 4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-4-oxobutanoate?

The canonical SMILES for 1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methoxypropan-1-one;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;methyl 4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-4-oxobutanoate is COC(=O)CCC(=O)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.COCC(=O)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.COCCC(=O)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.COCCOCC(=O)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.Nc1cc(N2CCN(C(=O)CC(=O)O)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(C(=O)CO)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.

What is the InChIKey of 1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methoxypropan-1-one;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;methyl 4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-4-oxobutanoate?

The InChIKey is KCKPDOCNKKQITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46N8O3.C30H48N8O3.C29H46N8O2.C28H42N8O3.C28H44N8O2.C27H42N8O2/c1-41-29(40)13-12-28(39)38-18-16-37(17-19-38)27-20-26(31)35-30(36-27)34-22-24-10-8-23(9-11-24)21-32-14-5-15-33-25-6-3-2-4-7-25;1-40-18-19-41-23-29(39)38-16-14-37(15-17-38)28-20-27(31)35-30(36-28)34-22-25-10-8-24(9-11-25)21-32-12-5-13-33-26-6-3-2-4-7-26;1-39-19-12-28(38)37-17-15-36(16-18-37)27-20-26(30)34-29(35-27)33-22-24-10-8-23(9-11-24)21-31-13-5-14-32-25-6-3-2-4-7-25;29-24-17-25(35-13-15-36(16-14-35)26(37)18-27(38)39)34-28(33-24)32-20-22-9-7-21(8-10-22)19-30-11-4-12-31-23-5-2-1-3-6-23;1-38-21-27(37)36-16-14-35(15-17-36)26-18-25(29)33-28(34-26)32-20-23-10-8-22(9-11-23)19-30-12-5-13-31-24-6-3-2-4-7-24;28-24-17-25(34-13-15-35(16-14-34)26(37)20-36)33-27(32-24)31-19-22-9-7-21(8-10-22)18-29-11-4-12-30-23-5-2-1-3-6-23/h8-11,20,25,32-33H,2-7,12-19,21-22H2,1H3,(H3,31,34,35,36);8-11,20,26,32-33H,2-7,12-19,21-23H2,1H3,(H3,31,34,35,36);8-11,20,25,31-32H,2-7,12-19,21-22H2,1H3,(H3,30,33,34,35);7-10,17,23,30-31H,1-6,11-16,18-20H2,(H,38,39)(H3,29,32,33,34);8-11,18,24,30-31H,2-7,12-17,19-21H2,1H3,(H3,29,32,33,34);7-10,17,23,29-30,36H,1-6,11-16,18-20H2,(H3,28,31,32,33).

What are the key properties of 1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methoxypropan-1-one;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;methyl 4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-4-oxobutanoate?

1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methoxypropan-1-one;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;methyl 4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-4-oxobutanoate has a molecular weight of 3248.36 g/mol, XLogP of 14.10, 82 rotatable bonds, 26 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methoxypropan-1-one;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropanoic acid;methyl 4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-4-oxobutanoate is sourced from PubChem (CID 159093934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).