1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-cyclopentylpropan-1-one;6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]pyrimidin-4-yl]-2,2,2-trifluoroacetamide;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine

C207H321Cl4F6N49O7 — CID 161328431

About 1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-cyclopentylpropan-1-one;6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]pyrimidin-4-yl]-2,2,2-trifluoroacetamide;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine

1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-cyclopentylpropan-1-one;6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]pyrimidin-4-yl]-2,2,2-trifluoroacetamide;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine (PubChem CID 161328431) has the molecular formula C207H321Cl4F6N49O7 and a molecular weight of 3863.98 g/mol. Its IUPAC name is 1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-cyclopentylpropan-1-one;6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]pyrimidin-4-yl]-2,2,2-trifluoroacetamide;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-cyclopentylpropan-1-one;6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]pyrimidin-4-yl]-2,2,2-trifluoroacetamide;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine
• PubChem CID: 161328431
• Molecular Formula: C207H321Cl4F6N49O7
• Molecular Weight: 3863.98 g/mol
• Exact Mass: 3859.49
• IUPAC Name: 1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-cyclopentylpropan-1-one;6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]pyrimidin-4-yl]-2,2,2-trifluoroacetamide;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine
• SMILES: CC(C)CN(CC(C)C)c1cc(Cl)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.CC(C)CNc1cc(Cl)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.CCOCCNc1cc(N2CCN(CCN3CCOCC3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.COCCN(CCOC)c1cc(Cl)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Clc1cc(NCCC2=CCCCC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(C(=O)CCC3CCCC3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.O=C(Nc1cc(N2CCN(C(=O)C(F)(F)F)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1)C(F)(F)F
• InChI: InChI=1S/C35H59N9O2.C33H52N8O.C29H43ClN6.C29H47ClN6.C29H38F6N8O2.C27H43ClN6O2.C25H39ClN6/c1-2-45-24-15-38-33-27-34(44-20-18-42(19-21-44)16-17-43-22-25-46-26-23-43)41-35(40-33)39-29-31-11-9-30(10-12-31)28-36-13-6-14-37-32-7-4-3-5-8-32;34-30-23-31(40-19-21-41(22-20-40)32(42)16-15-26-7-4-5-8-26)39-33(38-30)37-25-28-13-11-27(12-14-28)24-35-17-6-18-36-29-9-2-1-3-10-29;30-27-20-28(33-19-16-23-8-3-1-4-9-23)36-29(35-27)34-22-25-14-12-24(13-15-25)21-31-17-7-18-32-26-10-5-2-6-11-26;1-22(2)20-36(21-23(3)4)28-17-27(30)34-29(35-28)33-19-25-13-11-24(12-14-25)18-31-15-8-16-32-26-9-6-5-7-10-26;30-28(31,32)25(44)39-23-17-24(42-13-15-43(16-14-42)26(45)29(33,34)35)41-27(40-23)38-19-21-9-7-20(8-10-21)18-36-11-4-12-37-22-5-2-1-3-6-22;1-35-17-15-34(16-18-36-2)26-19-25(28)32-27(33-26)31-21-23-11-9-22(10-12-23)20-29-13-6-14-30-24-7-4-3-5-8-24;1-19(2)16-29-24-15-23(26)31-25(32-24)30-18-21-11-9-20(10-12-21)17-27-13-6-14-28-22-7-4-3-5-8-22/h9-12,27,32,36-37H,2-8,13-26,28-29H2,1H3,(H2,38,39,40,41);11-14,23,26,29,35-36H,1-10,15-22,24-25H2,(H3,34,37,38,39);8,12-15,20,26,31-32H,1-7,9-11,16-19,21-22H2,(H2,33,34,35,36);11-14,17,22-23,26,31-32H,5-10,15-16,18-21H2,1-4H3,(H,33,34,35);7-10,17,22,36-37H,1-6,11-16,18-19H2,(H2,38,39,40,41,44);9-12,19,24,29-30H,3-8,13-18,20-21H2,1-2H3,(H,31,32,33);9-12,15,19,22,27-28H,3-8,13-14,16-18H2,1-2H3,(H2,29,30,31,32)
• InChIKey: VLBYCWWOPJIISY-UHFFFAOYSA-N
• XLogP: 34.45
• TPSA: 624.52 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 53
• Rotatable Bonds: 104
• Heavy Atoms: 273
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3863.98
LogP ≤ 5	34.45
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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]-3-cyclopentylpropan-1-one;6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]pyrimidin-4-yl]-2,2,2-trifluoroacetamide;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine?

The IUPAC name of 1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-cyclopentylpropan-1-one;6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]pyrimidin-4-yl]-2,2,2-trifluoroacetamide;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine (CID 161328431) is 1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-cyclopentylpropan-1-one;6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]pyrimidin-4-yl]-2,2,2-trifluoroacetamide;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine.

What is the SMILES notation for 1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-cyclopentylpropan-1-one;6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]pyrimidin-4-yl]-2,2,2-trifluoroacetamide;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine?

The canonical SMILES for 1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-cyclopentylpropan-1-one;6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]pyrimidin-4-yl]-2,2,2-trifluoroacetamide;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine is CC(C)CN(CC(C)C)c1cc(Cl)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.CC(C)CNc1cc(Cl)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.CCOCCNc1cc(N2CCN(CCN3CCOCC3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.COCCN(CCOC)c1cc(Cl)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Clc1cc(NCCC2=CCCCC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(C(=O)CCC3CCCC3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.O=C(Nc1cc(N2CCN(C(=O)C(F)(F)F)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1)C(F)(F)F.

What is the InChIKey of 1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-cyclopentylpropan-1-one;6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]pyrimidin-4-yl]-2,2,2-trifluoroacetamide;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine?

The InChIKey is VLBYCWWOPJIISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H59N9O2.C33H52N8O.C29H43ClN6.C29H47ClN6.C29H38F6N8O2.C27H43ClN6O2.C25H39ClN6/c1-2-45-24-15-38-33-27-34(44-20-18-42(19-21-44)16-17-43-22-25-46-26-23-43)41-35(40-33)39-29-31-11-9-30(10-12-31)28-36-13-6-14-37-32-7-4-3-5-8-32;34-30-23-31(40-19-21-41(22-20-40)32(42)16-15-26-7-4-5-8-26)39-33(38-30)37-25-28-13-11-27(12-14-28)24-35-17-6-18-36-29-9-2-1-3-10-29;30-27-20-28(33-19-16-23-8-3-1-4-9-23)36-29(35-27)34-22-25-14-12-24(13-15-25)21-31-17-7-18-32-26-10-5-2-6-11-26;1-22(2)20-36(21-23(3)4)28-17-27(30)34-29(35-28)33-19-25-13-11-24(12-14-25)18-31-15-8-16-32-26-9-6-5-7-10-26;30-28(31,32)25(44)39-23-17-24(42-13-15-43(16-14-42)26(45)29(33,34)35)41-27(40-23)38-19-21-9-7-20(8-10-21)18-36-11-4-12-37-22-5-2-1-3-6-22;1-35-17-15-34(16-18-36-2)26-19-25(28)32-27(33-26)31-21-23-11-9-22(10-12-23)20-29-13-6-14-30-24-7-4-3-5-8-24;1-19(2)16-29-24-15-23(26)31-25(32-24)30-18-21-11-9-20(10-12-21)17-27-13-6-14-28-22-7-4-3-5-8-22/h9-12,27,32,36-37H,2-8,13-26,28-29H2,1H3,(H2,38,39,40,41);11-14,23,26,29,35-36H,1-10,15-22,24-25H2,(H3,34,37,38,39);8,12-15,20,26,31-32H,1-7,9-11,16-19,21-22H2,(H2,33,34,35,36);11-14,17,22-23,26,31-32H,5-10,15-16,18-21H2,1-4H3,(H,33,34,35);7-10,17,22,36-37H,1-6,11-16,18-19H2,(H2,38,39,40,41,44);9-12,19,24,29-30H,3-8,13-18,20-21H2,1-2H3,(H,31,32,33);9-12,15,19,22,27-28H,3-8,13-14,16-18H2,1-2H3,(H2,29,30,31,32).

What are the key properties of 1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-cyclopentylpropan-1-one;6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]pyrimidin-4-yl]-2,2,2-trifluoroacetamide;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine?

1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-cyclopentylpropan-1-one;6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]pyrimidin-4-yl]-2,2,2-trifluoroacetamide;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 3863.98 g/mol, XLogP of 34.45, 104 rotatable bonds, 26 hydrogen bond donors, and 53 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]-3-cyclopentylpropan-1-one;6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]pyrimidin-4-yl]-2,2,2-trifluoroacetamide;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 161328431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).