2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine

C141H220N32O — CID 157215643

About 2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine

2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine (PubChem CID 157215643) has the molecular formula C141H220N32O and a molecular weight of 2379.53 g/mol. Its IUPAC name is 2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine.

Molecular Properties

• Compound Name: 2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine
• PubChem CID: 157215643
• Molecular Formula: C141H220N32O
• Molecular Weight: 2379.53 g/mol
• Exact Mass: 2377.81
• IUPAC Name: 2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine
• SMILES: Cc1cc(NCCCNC2CCCCC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Cc1cc(NCc2ccc(CNCCCNC3CCCCC3)cc2)nc(NCCCNC2CCCCC2)n1.Cc1cnc(NCCCNC2CCCCC2)nc1NCc1ccc(CNCCCNC2CCCCC2)cc1.Nc1cc(Oc2ccccc2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.c1cnc(NCc2ccc(CNCCCNC3CCCCC3)cc2)nc1
• InChI: InChI=1S/3C31H51N7.C27H36N6O.C21H31N5/c1-25-22-37-31(35-21-9-20-34-29-12-6-3-7-13-29)38-30(25)36-24-27-16-14-26(15-17-27)23-32-18-8-19-33-28-10-4-2-5-11-28;1-25-22-30(38-31(37-25)35-21-9-20-34-29-12-6-3-7-13-29)36-24-27-16-14-26(15-17-27)23-32-18-8-19-33-28-10-4-2-5-11-28;1-25-22-30(35-21-9-20-34-29-12-6-3-7-13-29)38-31(37-25)36-24-27-16-14-26(15-17-27)23-32-18-8-19-33-28-10-4-2-5-11-28;28-25-18-26(34-24-10-5-2-6-11-24)33-27(32-25)31-20-22-14-12-21(13-15-22)19-29-16-7-17-30-23-8-3-1-4-9-23;1-2-6-20(7-3-1)23-13-4-12-22-16-18-8-10-19(11-9-18)17-26-21-24-14-5-15-25-21/h3*14-17,22,28-29,32-34H,2-13,18-21,23-24H2,1H3,(H2,35,36,37,38);2,5-6,10-15,18,23,29-30H,1,3-4,7-9,16-17,19-20H2,(H3,28,31,32,33);5,8-11,14-15,20,22-23H,1-4,6-7,12-13,16-17H2,(H,24,25,26)
• InChIKey: ASJPVCJCCLPSBC-UHFFFAOYSA-N
• XLogP: 24.93
• TPSA: 416.78 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 33
• Rotatable Bonds: 70
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2379.53
LogP ≤ 5	24.93
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine?

The IUPAC name of 2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine (CID 157215643) is 2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine.

What is the SMILES notation for 2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine?

The canonical SMILES for 2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine is Cc1cc(NCCCNC2CCCCC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Cc1cc(NCc2ccc(CNCCCNC3CCCCC3)cc2)nc(NCCCNC2CCCCC2)n1.Cc1cnc(NCCCNC2CCCCC2)nc1NCc1ccc(CNCCCNC2CCCCC2)cc1.Nc1cc(Oc2ccccc2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.c1cnc(NCc2ccc(CNCCCNC3CCCCC3)cc2)nc1.

What is the InChIKey of 2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine?

The InChIKey is ASJPVCJCCLPSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C31H51N7.C27H36N6O.C21H31N5/c1-25-22-37-31(35-21-9-20-34-29-12-6-3-7-13-29)38-30(25)36-24-27-16-14-26(15-17-27)23-32-18-8-19-33-28-10-4-2-5-11-28;1-25-22-30(38-31(37-25)35-21-9-20-34-29-12-6-3-7-13-29)36-24-27-16-14-26(15-17-27)23-32-18-8-19-33-28-10-4-2-5-11-28;1-25-22-30(35-21-9-20-34-29-12-6-3-7-13-29)38-31(37-25)36-24-27-16-14-26(15-17-27)23-32-18-8-19-33-28-10-4-2-5-11-28;28-25-18-26(34-24-10-5-2-6-11-24)33-27(32-25)31-20-22-14-12-21(13-15-22)19-29-16-7-17-30-23-8-3-1-4-9-23;1-2-6-20(7-3-1)23-13-4-12-22-16-18-8-10-19(11-9-18)17-26-21-24-14-5-15-25-21/h3*14-17,22,28-29,32-34H,2-13,18-21,23-24H2,1H3,(H2,35,36,37,38);2,5-6,10-15,18,23,29-30H,1,3-4,7-9,16-17,19-20H2,(H3,28,31,32,33);5,8-11,14-15,20,22-23H,1-4,6-7,12-13,16-17H2,(H,24,25,26).

What are the key properties of 2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine?

2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine has a molecular weight of 2379.53 g/mol, XLogP of 24.93, 70 rotatable bonds, 22 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine is sourced from PubChem (CID 157215643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).