N-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;N-tert-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;N-cyclohexyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide

C156H245N39O6 — CID 159279499

About N-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;N-tert-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;N-cyclohexyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide

N-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;N-tert-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;N-cyclohexyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 159279499) has the molecular formula C156H245N39O6 and a molecular weight of 2762.94 g/mol. Its IUPAC name is N-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;N-tert-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;N-cyclohexyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;N-tert-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;N-cyclohexyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide
• PubChem CID: 159279499
• Molecular Formula: C156H245N39O6
• Molecular Weight: 2762.94 g/mol
• Exact Mass: 2761.01
• IUPAC Name: N-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;N-tert-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;N-cyclohexyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide
• SMILES: CCCCNC(=O)N1CCN(c2cc(C)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.Cc1cc(N2CCN(C(=O)C3CC3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Cc1cc(N2CCN(C(=O)N3CCOCC3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Cc1cc(N2CCN(C(=O)NC(C)(C)C)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Cc1cc(N2CCN(C(=O)NC3CCCCC3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1
• InChI: InChI=1S/C33H52N8O.C31H48N8O2.2C31H50N8O.C30H45N7O/c1-26-23-31(40-19-21-41(22-20-40)33(42)38-30-11-6-3-7-12-30)39-32(37-26)36-25-28-15-13-27(14-16-28)24-34-17-8-18-35-29-9-4-2-5-10-29;1-25-22-29(37-14-16-38(17-15-37)31(40)39-18-20-41-21-19-39)36-30(35-25)34-24-27-10-8-26(9-11-27)23-32-12-5-13-33-28-6-3-2-4-7-28;1-24-21-28(38-17-19-39(20-18-38)30(40)37-31(2,3)4)36-29(35-24)34-23-26-13-11-25(12-14-26)22-32-15-8-16-33-27-9-6-5-7-10-27;1-3-4-16-34-31(40)39-20-18-38(19-21-39)29-22-25(2)36-30(37-29)35-24-27-13-11-26(12-14-27)23-32-15-8-17-33-28-9-6-5-7-10-28;1-23-20-28(36-16-18-37(19-17-36)29(38)26-12-13-26)35-30(34-23)33-22-25-10-8-24(9-11-25)21-31-14-5-15-32-27-6-3-2-4-7-27/h13-16,23,29-30,34-35H,2-12,17-22,24-25H2,1H3,(H,38,42)(H,36,37,39);8-11,22,28,32-33H,2-7,12-21,23-24H2,1H3,(H,34,35,36);11-14,21,27,32-33H,5-10,15-20,22-23H2,1-4H3,(H,37,40)(H,34,35,36);11-14,22,28,32-33H,3-10,15-21,23-24H2,1-2H3,(H,34,40)(H,35,36,37);8-11,20,26-27,31-32H,2-7,12-19,21-22H2,1H3,(H,33,34,35)
• InChIKey: KYSQRKLLQLIEPX-UHFFFAOYSA-N
• XLogP: 21.05
• TPSA: 475.66 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 36
• Rotatable Bonds: 60
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2762.94
LogP ≤ 5	21.05
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;N-tert-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;N-cyclohexyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide?

The IUPAC name of N-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;N-tert-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;N-cyclohexyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide (CID 159279499) is N-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;N-tert-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;N-cyclohexyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide.

What is the SMILES notation for N-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;N-tert-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;N-cyclohexyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide?

The canonical SMILES for N-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;N-tert-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;N-cyclohexyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide is CCCCNC(=O)N1CCN(c2cc(C)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.Cc1cc(N2CCN(C(=O)C3CC3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Cc1cc(N2CCN(C(=O)N3CCOCC3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Cc1cc(N2CCN(C(=O)NC(C)(C)C)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Cc1cc(N2CCN(C(=O)NC3CCCCC3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.

What is the InChIKey of N-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;N-tert-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;N-cyclohexyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide?

The InChIKey is KYSQRKLLQLIEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H52N8O.C31H48N8O2.2C31H50N8O.C30H45N7O/c1-26-23-31(40-19-21-41(22-20-40)33(42)38-30-11-6-3-7-12-30)39-32(37-26)36-25-28-15-13-27(14-16-28)24-34-17-8-18-35-29-9-4-2-5-10-29;1-25-22-29(37-14-16-38(17-15-37)31(40)39-18-20-41-21-19-39)36-30(35-25)34-24-27-10-8-26(9-11-27)23-32-12-5-13-33-28-6-3-2-4-7-28;1-24-21-28(38-17-19-39(20-18-38)30(40)37-31(2,3)4)36-29(35-24)34-23-26-13-11-25(12-14-26)22-32-15-8-16-33-27-9-6-5-7-10-27;1-3-4-16-34-31(40)39-20-18-38(19-21-39)29-22-25(2)36-30(37-29)35-24-27-13-11-26(12-14-27)23-32-15-8-17-33-28-9-6-5-7-10-28;1-23-20-28(36-16-18-37(19-17-36)29(38)26-12-13-26)35-30(34-23)33-22-25-10-8-24(9-11-25)21-31-14-5-15-32-27-6-3-2-4-7-27/h13-16,23,29-30,34-35H,2-12,17-22,24-25H2,1H3,(H,38,42)(H,36,37,39);8-11,22,28,32-33H,2-7,12-21,23-24H2,1H3,(H,34,35,36);11-14,21,27,32-33H,5-10,15-20,22-23H2,1-4H3,(H,37,40)(H,34,35,36);11-14,22,28,32-33H,3-10,15-21,23-24H2,1-2H3,(H,34,40)(H,35,36,37);8-11,20,26-27,31-32H,2-7,12-19,21-22H2,1H3,(H,33,34,35).

What are the key properties of N-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;N-tert-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;N-cyclohexyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide?

N-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;N-tert-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;N-cyclohexyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 2762.94 g/mol, XLogP of 21.05, 60 rotatable bonds, 18 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;N-tert-butyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;N-cyclohexyl-4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 159279499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).