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;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-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine

C124H189Cl2F4N31 — CID 158915909

IUPAC6-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;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-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine
SMILESClc1cc(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
InChIInChI=1S/C30H48ClN7.C30H49N7.C22H30F3N5.C21H31ClN6.C21H31FN6/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;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;23-22(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/h13-16,21,26-27,32-34H,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);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)
InChIKeyJHFNACKWXZBHIQ-UHFFFAOYSA-N
MW2260.99 g/mol
LogP22.53
Rot. Bonds62

About 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;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-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-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;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-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine (PubChem CID 158915909) has the molecular formula C124H189Cl2F4N31 and a molecular weight of 2260.99 g/mol. Its IUPAC name is 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;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-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine.

Molecular Properties

Compound Name6-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;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-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine
PubChem CID158915909
Molecular FormulaC124H189Cl2F4N31
Molecular Weight2260.99 g/mol
Exact Mass2258.51
IUPAC Name6-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;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-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine
SMILESClc1cc(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
InChIInChI=1S/C30H48ClN7.C30H49N7.C22H30F3N5.C21H31ClN6.C21H31FN6/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;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;23-22(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/h13-16,21,26-27,32-34H,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);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)
InChIKeyJHFNACKWXZBHIQ-UHFFFAOYSA-N
XLogP22.53
TPSA409.51 Ų
H-Bond Donors21
H-Bond Acceptors31
Rotatable Bonds62
Heavy Atoms161
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002260.99
LogP ≤ 522.53
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 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;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-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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;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-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine?
The IUPAC name of 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;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-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine (CID 158915909) is 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;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-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine.
What is the SMILES notation for 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;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-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine?
The canonical SMILES for 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;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-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine is 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.
What is the InChIKey of 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;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-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine?
The InChIKey is JHFNACKWXZBHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48ClN7.C30H49N7.C22H30F3N5.C21H31ClN6.C21H31FN6/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;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;23-22(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/h13-16,21,26-27,32-34H,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);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).
What are the key properties of 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;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-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-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;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-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine has a molecular weight of 2260.99 g/mol, XLogP of 22.53, 62 rotatable bonds, 21 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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;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-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine is sourced from PubChem (CID 158915909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).