6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(1,5-dimethoxypentan-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol;1-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine

C160H259N41O11S3 — CID 158743051

IUPAC6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(1,5-dimethoxypentan-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol;1-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESCCCCS(=O)(=O)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.COCCC(CCOC)c1cc(N2CCN(CCO)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(S(=O)(=O)c3cccs3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.O=C1CCCN1CCCNc1cc(N2CCN(CCO)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.OCCN1CCN(c2cc(NCCCN3CCOCC3)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1
InChIInChI=1S/C34H55N9O2.C34H57N9O2.C34H57N7O3.C29H42N8O2S2.C29H48N8O2S/c44-24-23-41-19-21-42(22-20-41)32-25-31(37-16-6-18-43-17-4-9-33(43)45)39-34(40-32)38-27-29-12-10-28(11-13-29)26-35-14-5-15-36-30-7-2-1-3-8-30;44-23-20-42-16-18-43(19-17-42)33-26-32(37-14-5-15-41-21-24-45-25-22-41)39-34(40-33)38-28-30-10-8-29(9-11-30)27-35-12-4-13-36-31-6-2-1-3-7-31;1-43-23-13-30(14-24-44-2)32-25-33(41-19-17-40(18-20-41)21-22-42)39-34(38-32)37-27-29-11-9-28(10-12-29)26-35-15-6-16-36-31-7-4-3-5-8-31;30-26-20-27(36-15-17-37(18-16-36)41(38,39)28-8-4-19-40-28)35-29(34-26)33-22-24-11-9-23(10-12-24)21-31-13-5-14-32-25-6-2-1-3-7-25;1-2-3-20-40(38,39)37-18-16-36(17-19-37)28-21-27(30)34-29(35-28)33-23-25-12-10-24(11-13-25)22-31-14-7-15-32-26-8-5-4-6-9-26/h10-13,25,30,35-36,44H,1-9,14-24,26-27H2,(H2,37,38,39,40);8-11,26,31,35-36,44H,1-7,12-25,27-28H2,(H2,37,38,39,40);9-12,25,30-31,35-36,42H,3-8,13-24,26-27H2,1-2H3,(H,37,38,39);4,8-12,19-20,25,31-32H,1-3,5-7,13-18,21-22H2,(H3,30,33,34,35);10-13,21,26,31-32H,2-9,14-20,22-23H2,1H3,(H3,30,33,34,35)
InChIKeyIMNSQYPVSCRPGV-UHFFFAOYSA-N
MW3029.31 g/mol
LogP16.50
Rot. Bonds84

About 6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(1,5-dimethoxypentan-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol;1-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine

6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(1,5-dimethoxypentan-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol;1-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine (PubChem CID 158743051) has the molecular formula C160H259N41O11S3 and a molecular weight of 3029.31 g/mol. Its IUPAC name is 6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(1,5-dimethoxypentan-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol;1-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(1,5-dimethoxypentan-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol;1-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine
PubChem CID158743051
Molecular FormulaC160H259N41O11S3
Molecular Weight3029.31 g/mol
Exact Mass3027.01
IUPAC Name6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(1,5-dimethoxypentan-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol;1-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESCCCCS(=O)(=O)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.COCCC(CCOC)c1cc(N2CCN(CCO)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(S(=O)(=O)c3cccs3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.O=C1CCCN1CCCNc1cc(N2CCN(CCO)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.OCCN1CCN(c2cc(NCCCN3CCOCC3)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1
InChIInChI=1S/C34H55N9O2.C34H57N9O2.C34H57N7O3.C29H42N8O2S2.C29H48N8O2S/c44-24-23-41-19-21-42(22-20-41)32-25-31(37-16-6-18-43-17-4-9-33(43)45)39-34(40-32)38-27-29-12-10-28(11-13-29)26-35-14-5-15-36-30-7-2-1-3-8-30;44-23-20-42-16-18-43(19-17-42)33-26-32(37-14-5-15-41-21-24-45-25-22-41)39-34(40-33)38-28-30-10-8-29(9-11-30)27-35-12-4-13-36-31-6-2-1-3-7-31;1-43-23-13-30(14-24-44-2)32-25-33(41-19-17-40(18-20-41)21-22-42)39-34(38-32)37-27-29-11-9-28(10-12-29)26-35-15-6-16-36-31-7-4-3-5-8-31;30-26-20-27(36-15-17-37(18-16-36)41(38,39)28-8-4-19-40-28)35-29(34-26)33-22-24-11-9-23(10-12-24)21-31-13-5-14-32-25-6-2-1-3-7-25;1-2-3-20-40(38,39)37-18-16-36(17-19-37)28-21-27(30)34-29(35-28)33-23-25-12-10-24(11-13-25)22-31-14-7-15-32-26-8-5-4-6-9-26/h10-13,25,30,35-36,44H,1-9,14-24,26-27H2,(H2,37,38,39,40);8-11,26,31,35-36,44H,1-7,12-25,27-28H2,(H2,37,38,39,40);9-12,25,30-31,35-36,42H,3-8,13-24,26-27H2,1-2H3,(H,37,38,39);4,8-12,19-20,25,31-32H,1-3,5-7,13-18,21-22H2,(H3,30,33,34,35);10-13,21,26,31-32H,2-9,14-20,22-23H2,1H3,(H3,30,33,34,35)
InChIKeyIMNSQYPVSCRPGV-UHFFFAOYSA-N
XLogP16.50
TPSA598.06 Ų
H-Bond Donors22
H-Bond Acceptors50
Rotatable Bonds84
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003029.31
LogP ≤ 516.50
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

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

Analyze 6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(1,5-dimethoxypentan-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol;1-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(1,5-dimethoxypentan-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol;1-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(1,5-dimethoxypentan-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol;1-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine (CID 158743051) is 6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(1,5-dimethoxypentan-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol;1-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(1,5-dimethoxypentan-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol;1-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(1,5-dimethoxypentan-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol;1-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine is CCCCS(=O)(=O)N1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.COCCC(CCOC)c1cc(N2CCN(CCO)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(S(=O)(=O)c3cccs3)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.O=C1CCCN1CCCNc1cc(N2CCN(CCO)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.OCCN1CCN(c2cc(NCCCN3CCOCC3)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.
What is the InChIKey of 6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(1,5-dimethoxypentan-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol;1-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine?
The InChIKey is IMNSQYPVSCRPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H55N9O2.C34H57N9O2.C34H57N7O3.C29H42N8O2S2.C29H48N8O2S/c44-24-23-41-19-21-42(22-20-41)32-25-31(37-16-6-18-43-17-4-9-33(43)45)39-34(40-32)38-27-29-12-10-28(11-13-29)26-35-14-5-15-36-30-7-2-1-3-8-30;44-23-20-42-16-18-43(19-17-42)33-26-32(37-14-5-15-41-21-24-45-25-22-41)39-34(40-33)38-28-30-10-8-29(9-11-30)27-35-12-4-13-36-31-6-2-1-3-7-31;1-43-23-13-30(14-24-44-2)32-25-33(41-19-17-40(18-20-41)21-22-42)39-34(38-32)37-27-29-11-9-28(10-12-29)26-35-15-6-16-36-31-7-4-3-5-8-31;30-26-20-27(36-15-17-37(18-16-36)41(38,39)28-8-4-19-40-28)35-29(34-26)33-22-24-11-9-23(10-12-24)21-31-13-5-14-32-25-6-2-1-3-7-25;1-2-3-20-40(38,39)37-18-16-36(17-19-37)28-21-27(30)34-29(35-28)33-23-25-12-10-24(11-13-25)22-31-14-7-15-32-26-8-5-4-6-9-26/h10-13,25,30,35-36,44H,1-9,14-24,26-27H2,(H2,37,38,39,40);8-11,26,31,35-36,44H,1-7,12-25,27-28H2,(H2,37,38,39,40);9-12,25,30-31,35-36,42H,3-8,13-24,26-27H2,1-2H3,(H,37,38,39);4,8-12,19-20,25,31-32H,1-3,5-7,13-18,21-22H2,(H3,30,33,34,35);10-13,21,26,31-32H,2-9,14-20,22-23H2,1H3,(H3,30,33,34,35).
What are the key properties of 6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(1,5-dimethoxypentan-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol;1-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine?
6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(1,5-dimethoxypentan-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol;1-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine has a molecular weight of 3029.31 g/mol, XLogP of 16.50, 84 rotatable bonds, 22 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(1,5-dimethoxypentan-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanol;1-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 158743051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).