2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;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

C153H246N42O9S3 — CID 160508910

IUPAC2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;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.Nc1cc(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.C29H42N8O2S2.C29H48N8O2S.C27H44N8O/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;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;28-25-19-26(35-15-13-34(14-16-35)17-18-36)33-27(32-25)31-21-23-9-7-22(8-10-23)20-29-11-4-12-30-24-5-2-1-3-6-24/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);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);7-10,19,24,29-30,36H,1-6,11-18,20-21H2,(H3,28,31,32,33)
InChIKeyQSUAFWCOVXVVFA-UHFFFAOYSA-N
MW2914.14 g/mol
LogP14.93
Rot. Bonds77

About 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;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

2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;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 160508910) has the molecular formula C153H246N42O9S3 and a molecular weight of 2914.14 g/mol. Its IUPAC name is 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;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 Name2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;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 CID160508910
Molecular FormulaC153H246N42O9S3
Molecular Weight2914.14 g/mol
Exact Mass2911.92
IUPAC Name2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;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.Nc1cc(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.C29H42N8O2S2.C29H48N8O2S.C27H44N8O/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;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;28-25-19-26(35-15-13-34(14-16-35)17-18-36)33-27(32-25)31-21-23-9-7-22(8-10-23)20-29-11-4-12-30-24-5-2-1-3-6-24/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);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);7-10,19,24,29-30,36H,1-6,11-18,20-21H2,(H3,28,31,32,33)
InChIKeyQSUAFWCOVXVVFA-UHFFFAOYSA-N
XLogP14.93
TPSA605.62 Ų
H-Bond Donors23
H-Bond Acceptors49
Rotatable Bonds77
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002914.14
LogP ≤ 514.93
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

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

Analyze 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;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 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;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 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;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 160508910) is 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;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 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;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 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;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.Nc1cc(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 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;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 QSUAFWCOVXVVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H55N9O2.C34H57N9O2.C29H42N8O2S2.C29H48N8O2S.C27H44N8O/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;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;28-25-19-26(35-15-13-34(14-16-35)17-18-36)33-27(32-25)31-21-23-9-7-22(8-10-23)20-29-11-4-12-30-24-5-2-1-3-6-24/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);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);7-10,19,24,29-30,36H,1-6,11-18,20-21H2,(H3,28,31,32,33).
What are the key properties of 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;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?
2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;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 2914.14 g/mol, XLogP of 14.93, 77 rotatable bonds, 23 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;6-(4-butylsulfonylpiperazin-1-yl)-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;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 160508910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).