6-chloro-2-N,4-N-bis[3-(cyclohexylamino)propyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-fluoropyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine

C197H307Cl4F4N49 — CID 158183424

IUPAC6-chloro-2-N,4-N-bis[3-(cyclohexylamino)propyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-fluoropyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine
SMILESClc1cc(NCCCNC2CCCCC2)nc(NCCCNC2CCCCC2)n1.Clc1cc(NCCCNC2CCCCC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Clc1cc(NCc2ccc(CNCCCNC3CCCCC3)cc2)nc(NCCCNC2CCCCC2)n1.FC(F)(F)c1ccnc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(Cl)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)ncc1F.c1cc(NCCCNC2CCCCC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.c1cnc(NCc2ccc(CNCCCNC3CCCCC3)cc2)nc1
InChIInChI=1S/2C30H48ClN7.C30H49N7.C22H39ClN6.C22H30F3N5.C21H31ClN6.C21H31FN6.C21H31N5/c31-28-21-29(38-30(37-28)35-20-8-19-34-27-11-5-2-6-12-27)36-23-25-15-13-24(14-16-25)22-32-17-7-18-33-26-9-3-1-4-10-26;31-28-21-29(35-20-8-19-34-27-11-5-2-6-12-27)38-30(37-28)36-23-25-15-13-24(14-16-25)22-32-17-7-18-33-26-9-3-1-4-10-26;1-3-9-27(10-4-1)32-19-7-18-31-23-25-13-15-26(16-14-25)24-36-30-35-22-17-29(37-30)34-21-8-20-33-28-11-5-2-6-12-28;23-20-17-21(26-15-7-13-24-18-9-3-1-4-10-18)29-22(28-20)27-16-8-14-25-19-11-5-2-6-12-19;23-22(24,25)20-11-14-28-21(30-20)29-16-18-9-7-17(8-10-18)15-26-12-4-13-27-19-5-2-1-3-6-19;22-19-13-20(23)28-21(27-19)26-15-17-9-7-16(8-10-17)14-24-11-4-12-25-18-5-2-1-3-6-18;22-19-15-27-21(28-20(19)23)26-14-17-9-7-16(8-10-17)13-24-11-4-12-25-18-5-2-1-3-6-18;1-2-6-20(7-3-1)23-13-4-12-22-16-18-8-10-19(11-9-18)17-26-21-24-14-5-15-25-21/h2*13-16,21,26-27,32-34H,1-12,17-20,22-23H2,(H2,35,36,37,38);13-17,22,27-28,31-33H,1-12,18-21,23-24H2,(H2,34,35,36,37);17-19,24-25H,1-16H2,(H2,26,27,28,29);7-11,14,19,26-27H,1-6,12-13,15-16H2,(H,28,29,30);7-10,13,18,24-25H,1-6,11-12,14-15H2,(H3,23,26,27,28);7-10,15,18,24-25H,1-6,11-14H2,(H3,23,26,27,28);5,8-11,14-15,20,22-23H,1-4,6-7,12-13,16-17H2,(H,24,25,26)
InChIKeyFYWDNHIFQMXDIO-UHFFFAOYSA-N
MW3579.77 g/mol
LogP36.47
Rot. Bonds100

About 6-chloro-2-N,4-N-bis[3-(cyclohexylamino)propyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-fluoropyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine

6-chloro-2-N,4-N-bis[3-(cyclohexylamino)propyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-fluoropyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine (PubChem CID 158183424) has the molecular formula C197H307Cl4F4N49 and a molecular weight of 3579.77 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis[3-(cyclohexylamino)propyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-fluoropyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-bis[3-(cyclohexylamino)propyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-fluoropyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine
PubChem CID158183424
Molecular FormulaC197H307Cl4F4N49
Molecular Weight3579.77 g/mol
Exact Mass3575.42
IUPAC Name6-chloro-2-N,4-N-bis[3-(cyclohexylamino)propyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-fluoropyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine
SMILESClc1cc(NCCCNC2CCCCC2)nc(NCCCNC2CCCCC2)n1.Clc1cc(NCCCNC2CCCCC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Clc1cc(NCc2ccc(CNCCCNC3CCCCC3)cc2)nc(NCCCNC2CCCCC2)n1.FC(F)(F)c1ccnc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(Cl)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)ncc1F.c1cc(NCCCNC2CCCCC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.c1cnc(NCc2ccc(CNCCCNC3CCCCC3)cc2)nc1
InChIInChI=1S/2C30H48ClN7.C30H49N7.C22H39ClN6.C22H30F3N5.C21H31ClN6.C21H31FN6.C21H31N5/c31-28-21-29(38-30(37-28)35-20-8-19-34-27-11-5-2-6-12-27)36-23-25-15-13-24(14-16-25)22-32-17-7-18-33-26-9-3-1-4-10-26;31-28-21-29(35-20-8-19-34-27-11-5-2-6-12-27)38-30(37-28)36-23-25-15-13-24(14-16-25)22-32-17-7-18-33-26-9-3-1-4-10-26;1-3-9-27(10-4-1)32-19-7-18-31-23-25-13-15-26(16-14-25)24-36-30-35-22-17-29(37-30)34-21-8-20-33-28-11-5-2-6-12-28;23-20-17-21(26-15-7-13-24-18-9-3-1-4-10-18)29-22(28-20)27-16-8-14-25-19-11-5-2-6-12-19;23-22(24,25)20-11-14-28-21(30-20)29-16-18-9-7-17(8-10-18)15-26-12-4-13-27-19-5-2-1-3-6-19;22-19-13-20(23)28-21(27-19)26-15-17-9-7-16(8-10-17)14-24-11-4-12-25-18-5-2-1-3-6-18;22-19-15-27-21(28-20(19)23)26-14-17-9-7-16(8-10-17)13-24-11-4-12-25-18-5-2-1-3-6-18;1-2-6-20(7-3-1)23-13-4-12-22-16-18-8-10-19(11-9-18)17-26-21-24-14-5-15-25-21/h2*13-16,21,26-27,32-34H,1-12,17-20,22-23H2,(H2,35,36,37,38);13-17,22,27-28,31-33H,1-12,18-21,23-24H2,(H2,34,35,36,37);17-19,24-25H,1-16H2,(H2,26,27,28,29);7-11,14,19,26-27H,1-6,12-13,15-16H2,(H,28,29,30);7-10,13,18,24-25H,1-6,11-12,14-15H2,(H3,23,26,27,28);7-10,15,18,24-25H,1-6,11-14H2,(H3,23,26,27,28);5,8-11,14-15,20,22-23H,1-4,6-7,12-13,16-17H2,(H,24,25,26)
InChIKeyFYWDNHIFQMXDIO-UHFFFAOYSA-N
XLogP36.47
TPSA631.21 Ų
H-Bond Donors33
H-Bond Acceptors49
Rotatable Bonds100
Heavy Atoms254
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003579.77
LogP ≤ 536.47
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

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

Analyze 6-chloro-2-N,4-N-bis[3-(cyclohexylamino)propyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-fluoropyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-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

4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-1-N-(6-chloropyrimidin-4-yl)cyclohexane-1,4-diamine
CID 86766525
[6-(5-Chloro-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yl]-[(R)-1-(6-trifluoromethyl-pyridin-3-yl)-ethyl]-amine
CID 25033576
(S)-6-(5-Chloropyridin-2-yl)-N-(1-(6-(trifluoromethyl)pyridin-3-yl)ethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 25033575
4-[5-(2-anilinopyrimidin-4-yl)-2,4-bis(4-fluorophenyl)-1,1-di(piperidin-4-yl)-4H-imidazol-1-ium-5-yl]-N-phenylpyrimidin-2-amine
CID 53635915
4-(3-Chloro-4-fluorophenyl)-2,6-bis[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761221
1-[4-(3-Chloro-4-fluorophenyl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-2-yl]piperidin-4-amine
CID 57761223
4-(3-Chloro-4-fluorophenyl)-2-(2-methylpiperazin-1-yl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761420
4-(3-Chloro-4-fluorophenyl)-2-(3-methylpiperazin-1-yl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761467
4-(3-Chloro-4-fluorophenyl)-2-piperazin-1-yl-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761913
4-(3-Chloro-4-fluoro-phenyl)-2-piperidin-4-yl-6-[4-(3-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-pyrimidine
CID 57761923
4-(3-chloro-4-fluorophenyl)-2-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761984
6-chloro-N-[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]pyrimidin-4-amine
CID 58127219

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-bis[3-(cyclohexylamino)propyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-fluoropyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis[3-(cyclohexylamino)propyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-fluoropyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine (CID 158183424) is 6-chloro-2-N,4-N-bis[3-(cyclohexylamino)propyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-fluoropyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-bis[3-(cyclohexylamino)propyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-fluoropyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-bis[3-(cyclohexylamino)propyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-fluoropyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine is Clc1cc(NCCCNC2CCCCC2)nc(NCCCNC2CCCCC2)n1.Clc1cc(NCCCNC2CCCCC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Clc1cc(NCc2ccc(CNCCCNC3CCCCC3)cc2)nc(NCCCNC2CCCCC2)n1.FC(F)(F)c1ccnc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(Cl)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)ncc1F.c1cc(NCCCNC2CCCCC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.c1cnc(NCc2ccc(CNCCCNC3CCCCC3)cc2)nc1.
What is the InChIKey of 6-chloro-2-N,4-N-bis[3-(cyclohexylamino)propyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-fluoropyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine?
The InChIKey is FYWDNHIFQMXDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H48ClN7.C30H49N7.C22H39ClN6.C22H30F3N5.C21H31ClN6.C21H31FN6.C21H31N5/c31-28-21-29(38-30(37-28)35-20-8-19-34-27-11-5-2-6-12-27)36-23-25-15-13-24(14-16-25)22-32-17-7-18-33-26-9-3-1-4-10-26;31-28-21-29(35-20-8-19-34-27-11-5-2-6-12-27)38-30(37-28)36-23-25-15-13-24(14-16-25)22-32-17-7-18-33-26-9-3-1-4-10-26;1-3-9-27(10-4-1)32-19-7-18-31-23-25-13-15-26(16-14-25)24-36-30-35-22-17-29(37-30)34-21-8-20-33-28-11-5-2-6-12-28;23-20-17-21(26-15-7-13-24-18-9-3-1-4-10-18)29-22(28-20)27-16-8-14-25-19-11-5-2-6-12-19;23-22(24,25)20-11-14-28-21(30-20)29-16-18-9-7-17(8-10-18)15-26-12-4-13-27-19-5-2-1-3-6-19;22-19-13-20(23)28-21(27-19)26-15-17-9-7-16(8-10-17)14-24-11-4-12-25-18-5-2-1-3-6-18;22-19-15-27-21(28-20(19)23)26-14-17-9-7-16(8-10-17)13-24-11-4-12-25-18-5-2-1-3-6-18;1-2-6-20(7-3-1)23-13-4-12-22-16-18-8-10-19(11-9-18)17-26-21-24-14-5-15-25-21/h2*13-16,21,26-27,32-34H,1-12,17-20,22-23H2,(H2,35,36,37,38);13-17,22,27-28,31-33H,1-12,18-21,23-24H2,(H2,34,35,36,37);17-19,24-25H,1-16H2,(H2,26,27,28,29);7-11,14,19,26-27H,1-6,12-13,15-16H2,(H,28,29,30);7-10,13,18,24-25H,1-6,11-12,14-15H2,(H3,23,26,27,28);7-10,15,18,24-25H,1-6,11-14H2,(H3,23,26,27,28);5,8-11,14-15,20,22-23H,1-4,6-7,12-13,16-17H2,(H,24,25,26).
What are the key properties of 6-chloro-2-N,4-N-bis[3-(cyclohexylamino)propyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-fluoropyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine?
6-chloro-2-N,4-N-bis[3-(cyclohexylamino)propyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-fluoropyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine has a molecular weight of 3579.77 g/mol, XLogP of 36.47, 100 rotatable bonds, 33 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-bis[3-(cyclohexylamino)propyl]pyrimidine-2,4-diamine;6-chloro-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-2-N-[3-(cyclohexylamino)propyl]-4-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;6-chloro-4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-5-fluoropyrimidine-2,4-diamine;4-N-[3-(cyclohexylamino)propyl]-2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine;N'-cyclohexyl-N-[[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine is sourced from PubChem (CID 158183424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).