6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;2-[4-[6-[2-(cyclohexen-1-yl)ethylamino]-2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]-6-(2-methylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine;N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidin-2-amine

C199H313Cl2N33O4 — CID 158853682

IUPAC6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;2-[4-[6-[2-(cyclohexen-1-yl)ethylamino]-2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]-6-(2-methylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine;N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidin-2-amine
SMILESCC(C)CNc1cc(Cl)nc(NCc2ccc(CCCCCCC3CCCCC3)cc2)n1.CC(C)CNc1cc(N2CCN(CCO)CC2)nc(NCc2ccc(CCCCCCC3CCCCC3)cc2)n1.CCOCCNc1cc(N2CCN(CCN3CCOCC3)CC2)nc(NCc2ccc(CCCCCCC3CCCCC3)cc2)n1.Cc1cc(N2CCN(CCN3CCCC3)CC2)nc(NCc2ccc(CCCCCCC3CCCCC3)cc2)n1.Clc1cc(NCCC2=CCCCC2)nc(NCc2ccc(CCCCCCC3CCCCC3)cc2)n1.OCCN1CCN(c2cc(NCCC3=CCCCC3)nc(NCc3ccc(CCCCCCC4CCCCC4)cc3)n2)CC1
InChIInChI=1S/C37H61N7O2.C37H58N6O.C34H54N6.C33H54N6O.C31H45ClN4.C27H41ClN4/c1-2-45-27-18-38-35-30-36(44-23-21-42(22-24-44)19-20-43-25-28-46-29-26-43)41-37(40-35)39-31-34-16-14-33(15-17-34)13-7-4-3-6-10-32-11-8-5-9-12-32;44-28-27-42-23-25-43(26-24-42)36-29-35(38-22-21-32-14-9-4-10-15-32)40-37(41-36)39-30-34-19-17-33(18-20-34)16-6-2-1-5-11-31-12-7-3-8-13-31;1-29-27-33(40-25-23-39(24-26-40)22-21-38-19-9-10-20-38)37-34(36-29)35-28-32-17-15-31(16-18-32)14-6-3-2-5-11-30-12-7-4-8-13-30;1-27(2)25-34-31-24-32(39-20-18-38(19-21-39)22-23-40)37-33(36-31)35-26-30-16-14-29(15-17-30)13-7-4-3-6-10-28-11-8-5-9-12-28;32-29-23-30(33-22-21-26-14-9-4-10-15-26)36-31(35-29)34-24-28-19-17-27(18-20-28)16-6-2-1-5-11-25-12-7-3-8-13-25;1-21(2)19-29-26-18-25(28)31-27(32-26)30-20-24-16-14-23(15-17-24)13-7-4-3-6-10-22-11-8-5-9-12-22/h14-17,30,32H,2-13,18-29,31H2,1H3,(H2,38,39,40,41);14,17-20,29,31,44H,1-13,15-16,21-28,30H2,(H2,38,39,40,41);15-18,27,30H,2-14,19-26,28H2,1H3,(H,35,36,37);14-17,24,27-28,40H,3-13,18-23,25-26H2,1-2H3,(H2,34,35,36,37);14,17-20,23,25H,1-13,15-16,21-22,24H2,(H2,33,34,35,36);14-18,21-22H,3-13,19-20H2,1-2H3,(H2,29,30,31,32)
InChIKeyIZTSQWUGXOIATK-UHFFFAOYSA-N
MW3302.83 g/mol
LogP43.68
Rot. Bonds93

About 6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;2-[4-[6-[2-(cyclohexen-1-yl)ethylamino]-2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]-6-(2-methylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine;N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidin-2-amine

6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;2-[4-[6-[2-(cyclohexen-1-yl)ethylamino]-2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]-6-(2-methylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine;N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 158853682) has the molecular formula C199H313Cl2N33O4 and a molecular weight of 3302.83 g/mol. Its IUPAC name is 6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;2-[4-[6-[2-(cyclohexen-1-yl)ethylamino]-2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]-6-(2-methylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine;N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;2-[4-[6-[2-(cyclohexen-1-yl)ethylamino]-2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]-6-(2-methylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine;N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID158853682
Molecular FormulaC199H313Cl2N33O4
Molecular Weight3302.83 g/mol
Exact Mass3299.47
IUPAC Name6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;2-[4-[6-[2-(cyclohexen-1-yl)ethylamino]-2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]-6-(2-methylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine;N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidin-2-amine
SMILESCC(C)CNc1cc(Cl)nc(NCc2ccc(CCCCCCC3CCCCC3)cc2)n1.CC(C)CNc1cc(N2CCN(CCO)CC2)nc(NCc2ccc(CCCCCCC3CCCCC3)cc2)n1.CCOCCNc1cc(N2CCN(CCN3CCOCC3)CC2)nc(NCc2ccc(CCCCCCC3CCCCC3)cc2)n1.Cc1cc(N2CCN(CCN3CCCC3)CC2)nc(NCc2ccc(CCCCCCC3CCCCC3)cc2)n1.Clc1cc(NCCC2=CCCCC2)nc(NCc2ccc(CCCCCCC3CCCCC3)cc2)n1.OCCN1CCN(c2cc(NCCC3=CCCCC3)nc(NCc3ccc(CCCCCCC4CCCCC4)cc3)n2)CC1
InChIInChI=1S/C37H61N7O2.C37H58N6O.C34H54N6.C33H54N6O.C31H45ClN4.C27H41ClN4/c1-2-45-27-18-38-35-30-36(44-23-21-42(22-24-44)19-20-43-25-28-46-29-26-43)41-37(40-35)39-31-34-16-14-33(15-17-34)13-7-4-3-6-10-32-11-8-5-9-12-32;44-28-27-42-23-25-43(26-24-42)36-29-35(38-22-21-32-14-9-4-10-15-32)40-37(41-36)39-30-34-19-17-33(18-20-34)16-6-2-1-5-11-31-12-7-3-8-13-31;1-29-27-33(40-25-23-39(24-26-40)22-21-38-19-9-10-20-38)37-34(36-29)35-28-32-17-15-31(16-18-32)14-6-3-2-5-11-30-12-7-4-8-13-30;1-27(2)25-34-31-24-32(39-20-18-38(19-21-39)22-23-40)37-33(36-31)35-26-30-16-14-29(15-17-30)13-7-4-3-6-10-28-11-8-5-9-12-28;32-29-23-30(33-22-21-26-14-9-4-10-15-26)36-31(35-29)34-24-28-19-17-27(18-20-28)16-6-2-1-5-11-25-12-7-3-8-13-25;1-21(2)19-29-26-18-25(28)31-27(32-26)30-20-24-16-14-23(15-17-24)13-7-4-3-6-10-22-11-8-5-9-12-22/h14-17,30,32H,2-13,18-29,31H2,1H3,(H2,38,39,40,41);14,17-20,29,31,44H,1-13,15-16,21-28,30H2,(H2,38,39,40,41);15-18,27,30H,2-14,19-26,28H2,1H3,(H,35,36,37);14-17,24,27-28,40H,3-13,18-23,25-26H2,1-2H3,(H2,34,35,36,37);14,17-20,23,25H,1-13,15-16,21-22,24H2,(H2,33,34,35,36);14-18,21-22H,3-13,19-20H2,1-2H3,(H2,29,30,31,32)
InChIKeyIZTSQWUGXOIATK-UHFFFAOYSA-N
XLogP43.68
TPSA378.33 Ų
H-Bond Donors13
H-Bond Acceptors37
Rotatable Bonds93
Heavy Atoms238
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003302.83
LogP ≤ 543.68
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;2-[4-[6-[2-(cyclohexen-1-yl)ethylamino]-2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]-6-(2-methylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine;N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;2-[4-[6-[2-(cyclohexen-1-yl)ethylamino]-2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]-6-(2-methylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine;N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;2-[4-[6-[2-(cyclohexen-1-yl)ethylamino]-2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]-6-(2-methylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine;N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidin-2-amine (CID 158853682) is 6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;2-[4-[6-[2-(cyclohexen-1-yl)ethylamino]-2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]-6-(2-methylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine;N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;2-[4-[6-[2-(cyclohexen-1-yl)ethylamino]-2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]-6-(2-methylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine;N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;2-[4-[6-[2-(cyclohexen-1-yl)ethylamino]-2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]-6-(2-methylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine;N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidin-2-amine is CC(C)CNc1cc(Cl)nc(NCc2ccc(CCCCCCC3CCCCC3)cc2)n1.CC(C)CNc1cc(N2CCN(CCO)CC2)nc(NCc2ccc(CCCCCCC3CCCCC3)cc2)n1.CCOCCNc1cc(N2CCN(CCN3CCOCC3)CC2)nc(NCc2ccc(CCCCCCC3CCCCC3)cc2)n1.Cc1cc(N2CCN(CCN3CCCC3)CC2)nc(NCc2ccc(CCCCCCC3CCCCC3)cc2)n1.Clc1cc(NCCC2=CCCCC2)nc(NCc2ccc(CCCCCCC3CCCCC3)cc2)n1.OCCN1CCN(c2cc(NCCC3=CCCCC3)nc(NCc3ccc(CCCCCCC4CCCCC4)cc3)n2)CC1.
What is the InChIKey of 6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;2-[4-[6-[2-(cyclohexen-1-yl)ethylamino]-2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]-6-(2-methylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine;N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is IZTSQWUGXOIATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H61N7O2.C37H58N6O.C34H54N6.C33H54N6O.C31H45ClN4.C27H41ClN4/c1-2-45-27-18-38-35-30-36(44-23-21-42(22-24-44)19-20-43-25-28-46-29-26-43)41-37(40-35)39-31-34-16-14-33(15-17-34)13-7-4-3-6-10-32-11-8-5-9-12-32;44-28-27-42-23-25-43(26-24-42)36-29-35(38-22-21-32-14-9-4-10-15-32)40-37(41-36)39-30-34-19-17-33(18-20-34)16-6-2-1-5-11-31-12-7-3-8-13-31;1-29-27-33(40-25-23-39(24-26-40)22-21-38-19-9-10-20-38)37-34(36-29)35-28-32-17-15-31(16-18-32)14-6-3-2-5-11-30-12-7-4-8-13-30;1-27(2)25-34-31-24-32(39-20-18-38(19-21-39)22-23-40)37-33(36-31)35-26-30-16-14-29(15-17-30)13-7-4-3-6-10-28-11-8-5-9-12-28;32-29-23-30(33-22-21-26-14-9-4-10-15-26)36-31(35-29)34-24-28-19-17-27(18-20-28)16-6-2-1-5-11-25-12-7-3-8-13-25;1-21(2)19-29-26-18-25(28)31-27(32-26)30-20-24-16-14-23(15-17-24)13-7-4-3-6-10-22-11-8-5-9-12-22/h14-17,30,32H,2-13,18-29,31H2,1H3,(H2,38,39,40,41);14,17-20,29,31,44H,1-13,15-16,21-28,30H2,(H2,38,39,40,41);15-18,27,30H,2-14,19-26,28H2,1H3,(H,35,36,37);14-17,24,27-28,40H,3-13,18-23,25-26H2,1-2H3,(H2,34,35,36,37);14,17-20,23,25H,1-13,15-16,21-22,24H2,(H2,33,34,35,36);14-18,21-22H,3-13,19-20H2,1-2H3,(H2,29,30,31,32).
What are the key properties of 6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;2-[4-[6-[2-(cyclohexen-1-yl)ethylamino]-2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]-6-(2-methylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine;N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidin-2-amine?
6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;2-[4-[6-[2-(cyclohexen-1-yl)ethylamino]-2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]-6-(2-methylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine;N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 3302.83 g/mol, XLogP of 43.68, 93 rotatable bonds, 13 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine;2-[4-[6-[2-(cyclohexen-1-yl)ethylamino]-2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-[4-[2-[[4-(6-cyclohexylhexyl)phenyl]methylamino]-6-(2-methylpropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine;N-[[4-(6-cyclohexylhexyl)phenyl]methyl]-4-methyl-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 158853682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).