2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanesulfonic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethyl-ethoxyphosphinic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethylphosphonic acid;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propylphosphonic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(2-diethoxyphosphorylethyl)piperazin-1-yl]pyrimidine-2,4-diamine

C142H268N40O15P4S — CID 161155543

IUPAC2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanesulfonic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethyl-ethoxyphosphinic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethylphosphonic acid;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propylphosphonic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(2-diethoxyphosphorylethyl)piperazin-1-yl]pyrimidine-2,4-diamine
SMILESCCOP(=O)(CCN1CCN(c2cc(N)nc(NCC3CCC(CNCCCNC4CCCCC4)CC3)n2)CC1)OCC.CCOP(=O)(O)CCN1CCN(c2cc(N)nc(NCC3CCC(CNCCCNC4CCCCC4)CC3)n2)CC1.Nc1cc(N2CCN(CCCP(=O)(O)O)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1.Nc1cc(N2CCN(CCP(=O)(O)O)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1.Nc1cc(N2CCN(CCS(=O)(=O)O)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1
InChIInChI=1S/C31H59N8O3P.C29H55N8O3P.C28H53N8O3P.C27H51N8O3P.C27H50N8O3S/c1-3-41-43(40,42-4-2)22-21-38-17-19-39(20-18-38)30-23-29(32)36-31(37-30)35-25-27-13-11-26(12-14-27)24-33-15-8-16-34-28-9-6-5-7-10-28;1-2-40-41(38,39)20-19-36-15-17-37(18-16-36)28-21-27(30)34-29(35-28)33-23-25-11-9-24(10-12-25)22-31-13-6-14-32-26-7-4-3-5-8-26;29-26-20-27(36-17-15-35(16-18-36)14-5-19-40(37,38)39)34-28(33-26)32-22-24-10-8-23(9-11-24)21-30-12-4-13-31-25-6-2-1-3-7-25;2*28-25-19-26(35-15-13-34(14-16-35)17-18-39(36,37)38)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/h23,26-28,33-34H,3-22,24-25H2,1-2H3,(H3,32,35,36,37);21,24-26,31-32H,2-20,22-23H2,1H3,(H,38,39)(H3,30,33,34,35);20,23-25,30-31H,1-19,21-22H2,(H2,37,38,39)(H3,29,32,33,34);19,22-24,29-30H,1-18,20-21H2,(H2,36,37,38)(H3,28,31,32,33);19,22-24,29-30H,1-18,20-21H2,(H,36,37,38)(H3,28,31,32,33)
InChIKeyUPGAAODBKWJAFJ-UHFFFAOYSA-N
MW2931.93 g/mol
LogP15.63
Rot. Bonds77

About 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanesulfonic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethyl-ethoxyphosphinic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethylphosphonic acid;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propylphosphonic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(2-diethoxyphosphorylethyl)piperazin-1-yl]pyrimidine-2,4-diamine

2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanesulfonic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethyl-ethoxyphosphinic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethylphosphonic acid;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propylphosphonic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(2-diethoxyphosphorylethyl)piperazin-1-yl]pyrimidine-2,4-diamine (PubChem CID 161155543) has the molecular formula C142H268N40O15P4S and a molecular weight of 2931.93 g/mol. Its IUPAC name is 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanesulfonic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethyl-ethoxyphosphinic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethylphosphonic acid;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propylphosphonic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(2-diethoxyphosphorylethyl)piperazin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanesulfonic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethyl-ethoxyphosphinic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethylphosphonic acid;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propylphosphonic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(2-diethoxyphosphorylethyl)piperazin-1-yl]pyrimidine-2,4-diamine
PubChem CID161155543
Molecular FormulaC142H268N40O15P4S
Molecular Weight2931.93 g/mol
Exact Mass2930.01
IUPAC Name2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanesulfonic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethyl-ethoxyphosphinic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethylphosphonic acid;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propylphosphonic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(2-diethoxyphosphorylethyl)piperazin-1-yl]pyrimidine-2,4-diamine
SMILESCCOP(=O)(CCN1CCN(c2cc(N)nc(NCC3CCC(CNCCCNC4CCCCC4)CC3)n2)CC1)OCC.CCOP(=O)(O)CCN1CCN(c2cc(N)nc(NCC3CCC(CNCCCNC4CCCCC4)CC3)n2)CC1.Nc1cc(N2CCN(CCCP(=O)(O)O)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1.Nc1cc(N2CCN(CCP(=O)(O)O)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1.Nc1cc(N2CCN(CCS(=O)(=O)O)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1
InChIInChI=1S/C31H59N8O3P.C29H55N8O3P.C28H53N8O3P.C27H51N8O3P.C27H50N8O3S/c1-3-41-43(40,42-4-2)22-21-38-17-19-39(20-18-38)30-23-29(32)36-31(37-30)35-25-27-13-11-26(12-14-27)24-33-15-8-16-34-28-9-6-5-7-10-28;1-2-40-41(38,39)20-19-36-15-17-37(18-16-36)28-21-27(30)34-29(35-28)33-23-25-11-9-24(10-12-25)22-31-13-6-14-32-26-7-4-3-5-8-26;29-26-20-27(36-17-15-35(16-18-36)14-5-19-40(37,38)39)34-28(33-26)32-22-24-10-8-23(9-11-24)21-30-12-4-13-31-25-6-2-1-3-7-25;2*28-25-19-26(35-15-13-34(14-16-35)17-18-39(36,37)38)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/h23,26-28,33-34H,3-22,24-25H2,1-2H3,(H3,32,35,36,37);21,24-26,31-32H,2-20,22-23H2,1H3,(H,38,39)(H3,30,33,34,35);20,23-25,30-31H,1-19,21-22H2,(H2,37,38,39)(H3,29,32,33,34);19,22-24,29-30H,1-18,20-21H2,(H2,36,37,38)(H3,28,31,32,33);19,22-24,29-30H,1-18,20-21H2,(H,36,37,38)(H3,28,31,32,33)
InChIKeyUPGAAODBKWJAFJ-UHFFFAOYSA-N
XLogP15.63
TPSA723.34 Ų
H-Bond Donors26
H-Bond Acceptors49
Rotatable Bonds77
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002931.93
LogP ≤ 515.63
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanesulfonic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethyl-ethoxyphosphinic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethylphosphonic acid;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propylphosphonic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(2-diethoxyphosphorylethyl)piperazin-1-yl]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanesulfonic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethyl-ethoxyphosphinic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethylphosphonic acid;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propylphosphonic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(2-diethoxyphosphorylethyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanesulfonic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethyl-ethoxyphosphinic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethylphosphonic acid;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propylphosphonic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(2-diethoxyphosphorylethyl)piperazin-1-yl]pyrimidine-2,4-diamine (CID 161155543) is 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanesulfonic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethyl-ethoxyphosphinic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethylphosphonic acid;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propylphosphonic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(2-diethoxyphosphorylethyl)piperazin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanesulfonic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethyl-ethoxyphosphinic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethylphosphonic acid;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propylphosphonic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(2-diethoxyphosphorylethyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanesulfonic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethyl-ethoxyphosphinic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethylphosphonic acid;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propylphosphonic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(2-diethoxyphosphorylethyl)piperazin-1-yl]pyrimidine-2,4-diamine is CCOP(=O)(CCN1CCN(c2cc(N)nc(NCC3CCC(CNCCCNC4CCCCC4)CC3)n2)CC1)OCC.CCOP(=O)(O)CCN1CCN(c2cc(N)nc(NCC3CCC(CNCCCNC4CCCCC4)CC3)n2)CC1.Nc1cc(N2CCN(CCCP(=O)(O)O)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1.Nc1cc(N2CCN(CCP(=O)(O)O)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1.Nc1cc(N2CCN(CCS(=O)(=O)O)CC2)nc(NCC2CCC(CNCCCNC3CCCCC3)CC2)n1.
What is the InChIKey of 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanesulfonic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethyl-ethoxyphosphinic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethylphosphonic acid;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propylphosphonic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(2-diethoxyphosphorylethyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is UPGAAODBKWJAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H59N8O3P.C29H55N8O3P.C28H53N8O3P.C27H51N8O3P.C27H50N8O3S/c1-3-41-43(40,42-4-2)22-21-38-17-19-39(20-18-38)30-23-29(32)36-31(37-30)35-25-27-13-11-26(12-14-27)24-33-15-8-16-34-28-9-6-5-7-10-28;1-2-40-41(38,39)20-19-36-15-17-37(18-16-36)28-21-27(30)34-29(35-28)33-23-25-11-9-24(10-12-25)22-31-13-6-14-32-26-7-4-3-5-8-26;29-26-20-27(36-17-15-35(16-18-36)14-5-19-40(37,38)39)34-28(33-26)32-22-24-10-8-23(9-11-24)21-30-12-4-13-31-25-6-2-1-3-7-25;2*28-25-19-26(35-15-13-34(14-16-35)17-18-39(36,37)38)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/h23,26-28,33-34H,3-22,24-25H2,1-2H3,(H3,32,35,36,37);21,24-26,31-32H,2-20,22-23H2,1H3,(H,38,39)(H3,30,33,34,35);20,23-25,30-31H,1-19,21-22H2,(H2,37,38,39)(H3,29,32,33,34);19,22-24,29-30H,1-18,20-21H2,(H2,36,37,38)(H3,28,31,32,33);19,22-24,29-30H,1-18,20-21H2,(H,36,37,38)(H3,28,31,32,33).
What are the key properties of 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanesulfonic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethyl-ethoxyphosphinic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethylphosphonic acid;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propylphosphonic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(2-diethoxyphosphorylethyl)piperazin-1-yl]pyrimidine-2,4-diamine?
2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanesulfonic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethyl-ethoxyphosphinic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethylphosphonic acid;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propylphosphonic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(2-diethoxyphosphorylethyl)piperazin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 2931.93 g/mol, XLogP of 15.63, 77 rotatable bonds, 26 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]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanesulfonic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethyl-ethoxyphosphinic acid;2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethylphosphonic acid;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propylphosphonic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]cyclohexyl]methyl]-6-[4-(2-diethoxyphosphorylethyl)piperazin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 161155543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).