2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine

C198H315N51O2 — CID 160874122

IUPAC2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine
SMILESCN1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.Cc1cc(NCCCNC2CCCCC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Cc1cc(NCc2ccc(CNCCCNC3CCCCC3)cc2)nc(NCCCNC2CCCCC2)n1.Cc1cnc(NCCCNC2CCCCC2)nc1NCc1ccc(CNCCCNC2CCCCC2)cc1.Nc1cc(N2CCN(CCO)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCNCC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(Oc2ccccc2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1
InChIInChI=1S/3C31H51N7.C27H44N8O.C27H36N6O.C26H42N8.C25H40N8/c1-25-22-37-31(35-21-9-20-34-29-12-6-3-7-13-29)38-30(25)36-24-27-16-14-26(15-17-27)23-32-18-8-19-33-28-10-4-2-5-11-28;1-25-22-30(38-31(37-25)35-21-9-20-34-29-12-6-3-7-13-29)36-24-27-16-14-26(15-17-27)23-32-18-8-19-33-28-10-4-2-5-11-28;1-25-22-30(35-21-9-20-34-29-12-6-3-7-13-29)38-31(37-25)36-24-27-16-14-26(15-17-27)23-32-18-8-19-33-28-10-4-2-5-11-28;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;28-25-18-26(34-24-10-5-2-6-11-24)33-27(32-25)31-20-22-14-12-21(13-15-22)19-29-16-7-17-30-23-8-3-1-4-9-23;1-33-14-16-34(17-15-33)25-18-24(27)31-26(32-25)30-20-22-10-8-21(9-11-22)19-28-12-5-13-29-23-6-3-2-4-7-23;26-23-17-24(33-15-13-27-14-16-33)32-25(31-23)30-19-21-9-7-20(8-10-21)18-28-11-4-12-29-22-5-2-1-3-6-22/h3*14-17,22,28-29,32-34H,2-13,18-21,23-24H2,1H3,(H2,35,36,37,38);7-10,19,24,29-30,36H,1-6,11-18,20-21H2,(H3,28,31,32,33);2,5-6,10-15,18,23,29-30H,1,3-4,7-9,16-17,19-20H2,(H3,28,31,32,33);8-11,18,23,28-29H,2-7,12-17,19-20H2,1H3,(H3,27,30,31,32);7-10,17,22,27-29H,1-6,11-16,18-19H2,(H3,26,30,31,32)
InChIKeySMDOZVLZFVIKNJ-UHFFFAOYSA-N
MW3442.05 g/mol
LogP28.93
Rot. Bonds95

About 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine

2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 160874122) has the molecular formula C198H315N51O2 and a molecular weight of 3442.05 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;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-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;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID160874122
Molecular FormulaC198H315N51O2
Molecular Weight3442.05 g/mol
Exact Mass3439.61
IUPAC Name2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine
SMILESCN1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.Cc1cc(NCCCNC2CCCCC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Cc1cc(NCc2ccc(CNCCCNC3CCCCC3)cc2)nc(NCCCNC2CCCCC2)n1.Cc1cnc(NCCCNC2CCCCC2)nc1NCc1ccc(CNCCCNC2CCCCC2)cc1.Nc1cc(N2CCN(CCO)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCNCC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(Oc2ccccc2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1
InChIInChI=1S/3C31H51N7.C27H44N8O.C27H36N6O.C26H42N8.C25H40N8/c1-25-22-37-31(35-21-9-20-34-29-12-6-3-7-13-29)38-30(25)36-24-27-16-14-26(15-17-27)23-32-18-8-19-33-28-10-4-2-5-11-28;1-25-22-30(38-31(37-25)35-21-9-20-34-29-12-6-3-7-13-29)36-24-27-16-14-26(15-17-27)23-32-18-8-19-33-28-10-4-2-5-11-28;1-25-22-30(35-21-9-20-34-29-12-6-3-7-13-29)38-31(37-25)36-24-27-16-14-26(15-17-27)23-32-18-8-19-33-28-10-4-2-5-11-28;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;28-25-18-26(34-24-10-5-2-6-11-24)33-27(32-25)31-20-22-14-12-21(13-15-22)19-29-16-7-17-30-23-8-3-1-4-9-23;1-33-14-16-34(17-15-33)25-18-24(27)31-26(32-25)30-20-22-10-8-21(9-11-22)19-28-12-5-13-29-23-6-3-2-4-7-23;26-23-17-24(33-15-13-27-14-16-33)32-25(31-23)30-19-21-9-7-20(8-10-21)18-28-11-4-12-29-22-5-2-1-3-6-22/h3*14-17,22,28-29,32-34H,2-13,18-21,23-24H2,1H3,(H2,35,36,37,38);7-10,19,24,29-30,36H,1-6,11-18,20-21H2,(H3,28,31,32,33);2,5-6,10-15,18,23,29-30H,1,3-4,7-9,16-17,19-20H2,(H3,28,31,32,33);8-11,18,23,28-29H,2-7,12-17,19-20H2,1H3,(H3,27,30,31,32);7-10,17,22,27-29H,1-6,11-16,18-19H2,(H3,26,30,31,32)
InChIKeySMDOZVLZFVIKNJ-UHFFFAOYSA-N
XLogP28.93
TPSA667.04 Ų
H-Bond Donors33
H-Bond Acceptors53
Rotatable Bonds95
Heavy Atoms251
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003442.05
LogP ≤ 528.93
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1053

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;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-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

Related Compounds

5-(2-Morpholino-6-(6-phenoxypyridin-3-ylamino)pyrimidin-4-yl)pyrimidin-2-amine
CID 53322731
5-(6-(6-(1-Methylpiperidin-4-yloxy)pyridin-3-ylamino)-2-morpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 53324329
N-(1-benzylpiperidin-4-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 122469657
US10633389, Example 32-1
CID 85472027
US10633389, Example 40-1
CID 85472297
US10633389, Example 1-1
CID 85473442
US10633389, Example 537-1a
CID 118881238
US10633389, Example 525-1a
CID 118881239
US10633389, Example 541-1a
CID 118881242
US10633389, Example 655-1a
CID 118881347
US10633389, Example 662-1a
CID 118881352
US10633389, Example 666-1a
CID 118881357

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;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-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;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine (CID 160874122) is 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-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;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-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;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine is CN1CCN(c2cc(N)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.Cc1cc(NCCCNC2CCCCC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Cc1cc(NCc2ccc(CNCCCNC3CCCCC3)cc2)nc(NCCCNC2CCCCC2)n1.Cc1cnc(NCCCNC2CCCCC2)nc1NCc1ccc(CNCCCNC2CCCCC2)cc1.Nc1cc(N2CCN(CCO)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCNCC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(Oc2ccccc2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.
What is the InChIKey of 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is SMDOZVLZFVIKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C31H51N7.C27H44N8O.C27H36N6O.C26H42N8.C25H40N8/c1-25-22-37-31(35-21-9-20-34-29-12-6-3-7-13-29)38-30(25)36-24-27-16-14-26(15-17-27)23-32-18-8-19-33-28-10-4-2-5-11-28;1-25-22-30(38-31(37-25)35-21-9-20-34-29-12-6-3-7-13-29)36-24-27-16-14-26(15-17-27)23-32-18-8-19-33-28-10-4-2-5-11-28;1-25-22-30(35-21-9-20-34-29-12-6-3-7-13-29)38-31(37-25)36-24-27-16-14-26(15-17-27)23-32-18-8-19-33-28-10-4-2-5-11-28;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;28-25-18-26(34-24-10-5-2-6-11-24)33-27(32-25)31-20-22-14-12-21(13-15-22)19-29-16-7-17-30-23-8-3-1-4-9-23;1-33-14-16-34(17-15-33)25-18-24(27)31-26(32-25)30-20-22-10-8-21(9-11-22)19-28-12-5-13-29-23-6-3-2-4-7-23;26-23-17-24(33-15-13-27-14-16-33)32-25(31-23)30-19-21-9-7-20(8-10-21)18-28-11-4-12-29-22-5-2-1-3-6-22/h3*14-17,22,28-29,32-34H,2-13,18-21,23-24H2,1H3,(H2,35,36,37,38);7-10,19,24,29-30,36H,1-6,11-18,20-21H2,(H3,28,31,32,33);2,5-6,10-15,18,23,29-30H,1,3-4,7-9,16-17,19-20H2,(H3,28,31,32,33);8-11,18,23,28-29H,2-7,12-17,19-20H2,1H3,(H3,27,30,31,32);7-10,17,22,27-29H,1-6,11-16,18-19H2,(H3,26,30,31,32).
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;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine?
2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethanol;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 3442.05 g/mol, XLogP of 28.93, 95 rotatable bonds, 33 hydrogen bond donors, and 53 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;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-phenoxypyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-piperazin-1-ylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-methylpyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 160874122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).