4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]imidazolidin-2-one;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-imidazol-1-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone

C146H225N47O7 — CID 158476906

About 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]imidazolidin-2-one;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-imidazol-1-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone

4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]imidazolidin-2-one;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-imidazol-1-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 158476906) has the molecular formula C146H225N47O7 and a molecular weight of 2750.73 g/mol. Its IUPAC name is 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]imidazolidin-2-one;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-imidazol-1-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]imidazolidin-2-one;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-imidazol-1-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone
• PubChem CID: 158476906
• Molecular Formula: C146H225N47O7
• Molecular Weight: 2750.73 g/mol
• Exact Mass: 2748.87
• IUPAC Name: 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]imidazolidin-2-one;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-imidazol-1-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone
• SMILES: CN(C)C(=O)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.Nc1cc(N2CCN(C(=O)N3CCCC3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(C(=O)N3CCNC3=O)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(C(=O)N3CCOCC3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(C(=O)n3ccnc3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1
• InChI: InChI=1S/C30H47N9O2.C30H47N9O.C29H44N10O2.C29H42N10O.C28H45N9O/c31-27-21-28(37-13-15-38(16-14-37)30(40)39-17-19-41-20-18-39)36-29(35-27)34-23-25-9-7-24(8-10-25)22-32-11-4-12-33-26-5-2-1-3-6-26;31-27-21-28(37-17-19-39(20-18-37)30(40)38-15-4-5-16-38)36-29(35-27)34-23-25-11-9-24(10-12-25)22-32-13-6-14-33-26-7-2-1-3-8-26;30-25-19-26(37-15-17-38(18-16-37)29(41)39-14-13-33-28(39)40)36-27(35-25)34-21-23-9-7-22(8-10-23)20-31-11-4-12-32-24-5-2-1-3-6-24;30-26-19-27(37-15-17-38(18-16-37)29(40)39-14-13-32-22-39)36-28(35-26)34-21-24-9-7-23(8-10-24)20-31-11-4-12-33-25-5-2-1-3-6-25;1-35(2)28(38)37-17-15-36(16-18-37)26-19-25(29)33-27(34-26)32-21-23-11-9-22(10-12-23)20-30-13-6-14-31-24-7-4-3-5-8-24/h7-10,21,26,32-33H,1-6,11-20,22-23H2,(H3,31,34,35,36);9-12,21,26,32-33H,1-8,13-20,22-23H2,(H3,31,34,35,36);7-10,19,24,31-32H,1-6,11-18,20-21H2,(H,33,40)(H3,30,34,35,36);7-10,13-14,19,22,25,31,33H,1-6,11-12,15-18,20-21H2,(H3,30,34,35,36);9-12,19,24,30-31H,3-8,13-18,20-21H2,1-2H3,(H3,29,32,33,34)
• InChIKey: HHBAFSJNVFWHPN-UHFFFAOYSA-N
• XLogP: 14.33
• TPSA: 626.31 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 44
• Rotatable Bonds: 55
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2750.73
LogP ≤ 5	14.33
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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,N-dimethylpiperazine-1-carboxamide;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]imidazolidin-2-one;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-imidazol-1-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone?

The IUPAC name of 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]imidazolidin-2-one;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-imidazol-1-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone (CID 158476906) is 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]imidazolidin-2-one;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-imidazol-1-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone.

What is the SMILES notation for 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]imidazolidin-2-one;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-imidazol-1-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone?

The canonical SMILES for 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]imidazolidin-2-one;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-imidazol-1-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone is CN(C)C(=O)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.Nc1cc(N2CCN(C(=O)N3CCCC3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(C(=O)N3CCNC3=O)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(C(=O)N3CCOCC3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(C(=O)n3ccnc3)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,N-dimethylpiperazine-1-carboxamide;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]imidazolidin-2-one;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-imidazol-1-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone?

The InChIKey is HHBAFSJNVFWHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47N9O2.C30H47N9O.C29H44N10O2.C29H42N10O.C28H45N9O/c31-27-21-28(37-13-15-38(16-14-37)30(40)39-17-19-41-20-18-39)36-29(35-27)34-23-25-9-7-24(8-10-25)22-32-11-4-12-33-26-5-2-1-3-6-26;31-27-21-28(37-17-19-39(20-18-37)30(40)38-15-4-5-16-38)36-29(35-27)34-23-25-11-9-24(10-12-25)22-32-13-6-14-33-26-7-2-1-3-8-26;30-25-19-26(37-15-17-38(18-16-37)29(41)39-14-13-33-28(39)40)36-27(35-25)34-21-23-9-7-22(8-10-23)20-31-11-4-12-32-24-5-2-1-3-6-24;30-26-19-27(37-15-17-38(18-16-37)29(40)39-14-13-32-22-39)36-28(35-26)34-21-24-9-7-23(8-10-24)20-31-11-4-12-33-25-5-2-1-3-6-25;1-35(2)28(38)37-17-15-36(16-18-37)26-19-25(29)33-27(34-26)32-21-23-11-9-22(10-12-23)20-30-13-6-14-31-24-7-4-3-5-8-24/h7-10,21,26,32-33H,1-6,11-20,22-23H2,(H3,31,34,35,36);9-12,21,26,32-33H,1-8,13-20,22-23H2,(H3,31,34,35,36);7-10,19,24,31-32H,1-6,11-18,20-21H2,(H,33,40)(H3,30,34,35,36);7-10,13-14,19,22,25,31,33H,1-6,11-12,15-18,20-21H2,(H3,30,34,35,36);9-12,19,24,30-31H,3-8,13-18,20-21H2,1-2H3,(H3,29,32,33,34).

What are the key properties of 4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]imidazolidin-2-one;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-imidazol-1-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone?

4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]imidazolidin-2-one;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-imidazol-1-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 2750.73 g/mol, XLogP of 14.33, 55 rotatable bonds, 21 hydrogen bond donors, and 44 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,N-dimethylpiperazine-1-carboxamide;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazine-1-carbonyl]imidazolidin-2-one;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-imidazol-1-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone;[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 158476906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).