N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-methoxyacetamide;N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-(2-methoxyethoxy)acetamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]butanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]-3-methoxypropanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]pentanamide;2-N-[3-(cyclohexylamino)propyl]-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine

C167H275N43O10 — CID 159787881

IUPACN-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-methoxyacetamide;N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-(2-methoxyethoxy)acetamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]butanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]-3-methoxypropanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]pentanamide;2-N-[3-(cyclohexylamino)propyl]-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine
SMILESCCCC(=O)NCCCNc1cc(C)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.CCCCC(=O)NCCCNc1cc(C)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.COCC(=O)NCCNc1cc(C)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.COCCC(=O)NCCCNc1cc(C)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.COCCOCC(=O)NCCNc1cc(C)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(CCN3CCOCC3)CC2)nc(NCCCNC2CCCCC2)n1
InChIInChI=1S/C30H49N7O.C29H47N7O3.C29H47N7O2.C29H47N7O.C27H43N7O2.C23H42N8O/c1-3-4-12-29(38)34-20-9-19-33-28-21-24(2)36-30(37-28)35-23-26-15-13-25(14-16-26)22-31-17-8-18-32-27-10-6-5-7-11-27;1-23-19-27(32-15-16-33-28(37)22-39-18-17-38-2)36-29(35-23)34-21-25-11-9-24(10-12-25)20-30-13-6-14-31-26-7-4-3-5-8-26;1-23-20-27(32-17-7-18-33-28(37)14-19-38-2)36-29(35-23)34-22-25-12-10-24(11-13-25)21-30-15-6-16-31-26-8-4-3-5-9-26;1-3-9-28(37)33-19-8-18-32-27-20-23(2)35-29(36-27)34-22-25-14-12-24(13-15-25)21-30-16-7-17-31-26-10-5-4-6-11-26;1-21-17-25(30-15-16-31-26(35)20-36-2)34-27(33-21)32-19-23-11-9-22(10-12-23)18-28-13-6-14-29-24-7-4-3-5-8-24;24-21-19-22(28-23(27-21)26-8-4-7-25-20-5-2-1-3-6-20)31-13-11-29(12-14-31)9-10-30-15-17-32-18-16-30/h13-16,21,27,31-32H,3-12,17-20,22-23H2,1-2H3,(H,34,38)(H2,33,35,36,37);9-12,19,26,30-31H,3-8,13-18,20-22H2,1-2H3,(H,33,37)(H2,32,34,35,36);10-13,20,26,30-31H,3-9,14-19,21-22H2,1-2H3,(H,33,37)(H2,32,34,35,36);12-15,20,26,30-31H,3-11,16-19,21-22H2,1-2H3,(H,33,37)(H2,32,34,35,36);9-12,17,24,28-29H,3-8,13-16,18-20H2,1-2H3,(H,31,35)(H2,30,32,33,34);19-20,25H,1-18H2,(H3,24,26,27,28)
InChIKeyNIEMSKHFXDOHEK-UHFFFAOYSA-N
MW3045.33 g/mol
LogP20.38
Rot. Bonds98

About N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-methoxyacetamide;N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-(2-methoxyethoxy)acetamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]butanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]-3-methoxypropanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]pentanamide;2-N-[3-(cyclohexylamino)propyl]-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine

N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-methoxyacetamide;N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-(2-methoxyethoxy)acetamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]butanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]-3-methoxypropanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]pentanamide;2-N-[3-(cyclohexylamino)propyl]-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine (PubChem CID 159787881) has the molecular formula C167H275N43O10 and a molecular weight of 3045.33 g/mol. Its IUPAC name is N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-methoxyacetamide;N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-(2-methoxyethoxy)acetamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]butanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]-3-methoxypropanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]pentanamide;2-N-[3-(cyclohexylamino)propyl]-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound NameN-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-methoxyacetamide;N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-(2-methoxyethoxy)acetamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]butanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]-3-methoxypropanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]pentanamide;2-N-[3-(cyclohexylamino)propyl]-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine
PubChem CID159787881
Molecular FormulaC167H275N43O10
Molecular Weight3045.33 g/mol
Exact Mass3043.23
IUPAC NameN-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-methoxyacetamide;N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-(2-methoxyethoxy)acetamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]butanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]-3-methoxypropanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]pentanamide;2-N-[3-(cyclohexylamino)propyl]-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine
SMILESCCCC(=O)NCCCNc1cc(C)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.CCCCC(=O)NCCCNc1cc(C)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.COCC(=O)NCCNc1cc(C)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.COCCC(=O)NCCCNc1cc(C)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.COCCOCC(=O)NCCNc1cc(C)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(CCN3CCOCC3)CC2)nc(NCCCNC2CCCCC2)n1
InChIInChI=1S/C30H49N7O.C29H47N7O3.C29H47N7O2.C29H47N7O.C27H43N7O2.C23H42N8O/c1-3-4-12-29(38)34-20-9-19-33-28-21-24(2)36-30(37-28)35-23-26-15-13-25(14-16-26)22-31-17-8-18-32-27-10-6-5-7-11-27;1-23-19-27(32-15-16-33-28(37)22-39-18-17-38-2)36-29(35-23)34-21-25-11-9-24(10-12-25)20-30-13-6-14-31-26-7-4-3-5-8-26;1-23-20-27(32-17-7-18-33-28(37)14-19-38-2)36-29(35-23)34-22-25-12-10-24(11-13-25)21-30-15-6-16-31-26-8-4-3-5-9-26;1-3-9-28(37)33-19-8-18-32-27-20-23(2)35-29(36-27)34-22-25-14-12-24(13-15-25)21-30-16-7-17-31-26-10-5-4-6-11-26;1-21-17-25(30-15-16-31-26(35)20-36-2)34-27(33-21)32-19-23-11-9-22(10-12-23)18-28-13-6-14-29-24-7-4-3-5-8-24;24-21-19-22(28-23(27-21)26-8-4-7-25-20-5-2-1-3-6-20)31-13-11-29(12-14-31)9-10-30-15-17-32-18-16-30/h13-16,21,27,31-32H,3-12,17-20,22-23H2,1-2H3,(H,34,38)(H2,33,35,36,37);9-12,19,26,30-31H,3-8,13-18,20-22H2,1-2H3,(H,33,37)(H2,32,34,35,36);10-13,20,26,30-31H,3-9,14-19,21-22H2,1-2H3,(H,33,37)(H2,32,34,35,36);12-15,20,26,30-31H,3-11,16-19,21-22H2,1-2H3,(H,33,37)(H2,32,34,35,36);9-12,17,24,28-29H,3-8,13-16,18-20H2,1-2H3,(H,31,35)(H2,30,32,33,34);19-20,25H,1-18H2,(H3,24,26,27,28)
InChIKeyNIEMSKHFXDOHEK-UHFFFAOYSA-N
XLogP20.38
TPSA646.73 Ų
H-Bond Donors28
H-Bond Acceptors48
Rotatable Bonds98
Heavy Atoms220
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003045.33
LogP ≤ 520.38
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-methoxyacetamide;N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-(2-methoxyethoxy)acetamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]butanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]-3-methoxypropanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]pentanamide;2-N-[3-(cyclohexylamino)propyl]-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one;4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;N'-cyclohexyl-N-[[4-[[[4-methyl-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine
CID 160949923
1-[4-[7-acetyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-(2-hydroxyethyl)urea;1-[4-[7-acetyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-[4-[7-formyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-(2-hydroxyethyl)urea;1-[4-[7-formyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;1-(2-hydroxyethyl)-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-propanoyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 173380241
1-[4-[2-[[4-[[3-(Cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 57839969
[4-[2-[[4-[[3-(Cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 57839988
1-[4-[7-[(2S)-2-aminobutanoyl]-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea;1-cyano-2-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]guanidine;1-ethyl-3-[4-[(8S)-8-methyl-4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 87493186
1-[2-[4-(cyclopropylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-methyl-3-[4-[4-[1-(4-methylpiperazine-1-carbonyl)cyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea
CID 87609636
N'-[4-[2-[4-[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]-N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]butanediamide
CID 91054765
2-[2-[4-[6-amino-2-[[4-[(4-cyclohexylpiperazin-1-yl)methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethoxy]ethanol;2-[2-[4-[6-amino-2-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethoxy]ethanol;N'-cyclohexyl-N-[2-[2-[[4-[4-(2-ethoxyethyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]amino]ethoxy]ethyl]propane-1,3-diamine;N'-cyclohexyl-N-[2-[2-[[4-methyl-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidin-2-yl]amino]ethoxy]ethyl]propane-1,3-diamine;2-N-[[4-[(4-cyclohexylpiperazin-1-yl)methyl]phenyl]methyl]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidine-2,4-diamine;6-[4-(2-ethoxyethyl)piperazin-1-yl]-2-N-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-N-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-2,4-diamine
CID 157606564
2-[2-[4-[6-amino-2-[3-(cyclohexylamino)propylamino]pyrimidin-4-yl]piperazin-1-yl]ethoxy]ethanol;N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-(2-methoxyethoxy)acetamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]butanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]-3-methoxypropanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]pentanamide;2-N-[3-(cyclohexylamino)propyl]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidine-2,4-diamine;2-N-[3-(cyclohexylamino)propyl]-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine
CID 157801301
1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(3-methyloxetane-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;methane
CID 157854831
2-[2-[4-[6-amino-2-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]ethoxy]ethanol;2-N-[[1-[3-(cyclohexylamino)propyl]piperidin-4-yl]methyl]-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[2-[2-[[4-[4-(2-ethoxyethyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]amino]ethoxy]ethyl]propane-1,3-diamine;N'-cyclohexyl-N-[2-[2-[[4-methyl-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidin-2-yl]amino]ethoxy]ethyl]propane-1,3-diamine;bis(6-[4-(2-ethoxyethyl)piperazin-1-yl]-2-N-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-2,4-diamine)
CID 157924687
N-[[4-[[[4-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-2-yl]amino]methyl]phenyl]methyl]-N'-cyclohexylpropane-1,3-diamine;2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]ethanol;N'-cyclohexyl-N-[[4-[[[4-[4-(cyclohexylmethyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-(4-cyclooctylpiperazin-1-yl)-6-methylpyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-(4-cyclopentylpiperazin-1-yl)-6-methylpyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine
CID 158033534

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-methoxyacetamide;N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-(2-methoxyethoxy)acetamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]butanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]-3-methoxypropanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]pentanamide;2-N-[3-(cyclohexylamino)propyl]-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-methoxyacetamide;N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-(2-methoxyethoxy)acetamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]butanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]-3-methoxypropanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]pentanamide;2-N-[3-(cyclohexylamino)propyl]-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine (CID 159787881) is N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-methoxyacetamide;N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-(2-methoxyethoxy)acetamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]butanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]-3-methoxypropanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]pentanamide;2-N-[3-(cyclohexylamino)propyl]-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-methoxyacetamide;N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-(2-methoxyethoxy)acetamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]butanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]-3-methoxypropanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]pentanamide;2-N-[3-(cyclohexylamino)propyl]-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-methoxyacetamide;N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-(2-methoxyethoxy)acetamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]butanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]-3-methoxypropanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]pentanamide;2-N-[3-(cyclohexylamino)propyl]-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine is CCCC(=O)NCCCNc1cc(C)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.CCCCC(=O)NCCCNc1cc(C)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.COCC(=O)NCCNc1cc(C)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.COCCC(=O)NCCCNc1cc(C)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.COCCOCC(=O)NCCNc1cc(C)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(CCN3CCOCC3)CC2)nc(NCCCNC2CCCCC2)n1.
What is the InChIKey of N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-methoxyacetamide;N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-(2-methoxyethoxy)acetamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]butanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]-3-methoxypropanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]pentanamide;2-N-[3-(cyclohexylamino)propyl]-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is NIEMSKHFXDOHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H49N7O.C29H47N7O3.C29H47N7O2.C29H47N7O.C27H43N7O2.C23H42N8O/c1-3-4-12-29(38)34-20-9-19-33-28-21-24(2)36-30(37-28)35-23-26-15-13-25(14-16-26)22-31-17-8-18-32-27-10-6-5-7-11-27;1-23-19-27(32-15-16-33-28(37)22-39-18-17-38-2)36-29(35-23)34-21-25-11-9-24(10-12-25)20-30-13-6-14-31-26-7-4-3-5-8-26;1-23-20-27(32-17-7-18-33-28(37)14-19-38-2)36-29(35-23)34-22-25-12-10-24(11-13-25)21-30-15-6-16-31-26-8-4-3-5-9-26;1-3-9-28(37)33-19-8-18-32-27-20-23(2)35-29(36-27)34-22-25-14-12-24(13-15-25)21-30-16-7-17-31-26-10-5-4-6-11-26;1-21-17-25(30-15-16-31-26(35)20-36-2)34-27(33-21)32-19-23-11-9-22(10-12-23)18-28-13-6-14-29-24-7-4-3-5-8-24;24-21-19-22(28-23(27-21)26-8-4-7-25-20-5-2-1-3-6-20)31-13-11-29(12-14-31)9-10-30-15-17-32-18-16-30/h13-16,21,27,31-32H,3-12,17-20,22-23H2,1-2H3,(H,34,38)(H2,33,35,36,37);9-12,19,26,30-31H,3-8,13-18,20-22H2,1-2H3,(H,33,37)(H2,32,34,35,36);10-13,20,26,30-31H,3-9,14-19,21-22H2,1-2H3,(H,33,37)(H2,32,34,35,36);12-15,20,26,30-31H,3-11,16-19,21-22H2,1-2H3,(H,33,37)(H2,32,34,35,36);9-12,17,24,28-29H,3-8,13-16,18-20H2,1-2H3,(H,31,35)(H2,30,32,33,34);19-20,25H,1-18H2,(H3,24,26,27,28).
What are the key properties of N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-methoxyacetamide;N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-(2-methoxyethoxy)acetamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]butanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]-3-methoxypropanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]pentanamide;2-N-[3-(cyclohexylamino)propyl]-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine?
N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-methoxyacetamide;N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-(2-methoxyethoxy)acetamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]butanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]-3-methoxypropanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]pentanamide;2-N-[3-(cyclohexylamino)propyl]-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 3045.33 g/mol, XLogP of 20.38, 98 rotatable bonds, 28 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-methoxyacetamide;N-[2-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]ethyl]-2-(2-methoxyethoxy)acetamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]butanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]-3-methoxypropanamide;N-[3-[[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]amino]propyl]pentanamide;2-N-[3-(cyclohexylamino)propyl]-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 159787881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).