N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-methyl-N-[5-(5-methylpyrazol-1-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]-3H-pyridazin-3-ol;1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(4-methyltriazol-2-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(5-piperidin-1-yl-2-pyridinyl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrrolo[1,2-a]pyrimidin-2-ylpropane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-[3-(trifluoromethyl)-2H-pyrrol-4-yl]pyrazin-2-yl]propane-1,3-diamine

C179H225F3N68O3S10 — CID 161411144

IUPACN-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-methyl-N-[5-(5-methylpyrazol-1-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]-3H-pyridazin-3-ol;1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(4-methyltriazol-2-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(5-piperidin-1-yl-2-pyridinyl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrrolo[1,2-a]pyrimidin-2-ylpropane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-[3-(trifluoromethyl)-2H-pyrrol-4-yl]pyrazin-2-yl]propane-1,3-diamine
SMILESCOc1ccccc1-c1ccc(NCC(C)CNc2ncc(SC)cn2)nc1.CSc1cnc(NCC(C)CNc2ccc(-c3ncn(C)n3)cn2)nc1.CSc1cnc(NCC(C)CNc2ccc(-n3ccccc3=O)cn2)nc1.CSc1cnc(NCC(C)CNc2ccc(-n3cncn3)cn2)nc1.CSc1cnc(NCC(C)CNc2ccc(-n3ncc(C)n3)cn2)nc1.CSc1cnc(NCC(C)CNc2ccc(-n3nccc3C)cn2)nc1.CSc1cnc(NCC(C)CNc2ccc(N3CCCCC3)cn2)nc1.CSc1cnc(NCC(C)CNc2ccc(N3N=CC=CC3O)cn2)nc1.CSc1cnc(NCC(C)CNc2ccn3cccc3n2)nc1.CSc1cnc(NCC(C)CNc2cnc(C3=C(C(F)(F)F)CN=C3)cn2)nc1
InChIInChI=1S/C21H25N5OS.C19H22N6OS.C19H28N6S.C18H20F3N7S.C18H23N7OS.C18H23N7S.2C17H22N8S.C16H20N8S.C16H20N6S/c1-15(11-24-21-25-13-17(28-3)14-26-21)10-22-20-9-8-16(12-23-20)18-6-4-5-7-19(18)27-2;1-14(10-22-19-23-12-16(27-2)13-24-19)9-20-17-7-6-15(11-21-17)25-8-4-3-5-18(25)26;1-15(11-22-19-23-13-17(26-2)14-24-19)10-20-18-7-6-16(12-21-18)25-8-4-3-5-9-25;1-11(4-26-17-27-5-12(29-2)6-28-17)3-24-16-10-23-15(9-25-16)13-7-22-8-14(13)18(19,20)21;1-13(9-21-18-22-11-15(27-2)12-23-18)8-19-16-6-5-14(10-20-16)25-17(26)4-3-7-24-25;1-13(9-21-18-22-11-16(26-3)12-23-18)8-19-17-5-4-15(10-20-17)25-14(2)6-7-24-25;1-12(7-20-17-21-9-14(26-3)10-22-17)6-18-15-5-4-13(8-19-15)16-23-11-25(2)24-16;1-12(7-20-17-21-10-15(26-3)11-22-17)6-18-16-5-4-14(9-19-16)25-23-8-13(2)24-25;1-12(6-20-16-21-8-14(25-2)9-22-16)5-18-15-4-3-13(7-19-15)24-11-17-10-23-24;1-12(9-18-16-19-10-13(23-2)11-20-16)8-17-14-5-7-22-6-3-4-15(22)21-14/h4-9,12-15H,10-11H2,1-3H3,(H,22,23)(H,24,25,26);3-8,11-14H,9-10H2,1-2H3,(H,20,21)(H,22,23,24);6-7,12-15H,3-5,8-11H2,1-2H3,(H,20,21)(H,22,23,24);5-7,9-11H,3-4,8H2,1-2H3,(H,24,25)(H,26,27,28);3-7,10-13,17,26H,8-9H2,1-2H3,(H,19,20)(H,21,22,23);4-7,10-13H,8-9H2,1-3H3,(H,19,20)(H,21,22,23);2*4-5,8-12H,6-7H2,1-3H3,(H,18,19)(H,20,21,22);3-4,7-12H,5-6H2,1-2H3,(H,18,19)(H,20,21,22);3-7,10-12H,8-9H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyVVMGPEUIRDPGTC-UHFFFAOYSA-N
MW3754.91 g/mol
LogP30.84
Rot. Bonds80

About N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-methyl-N-[5-(5-methylpyrazol-1-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]-3H-pyridazin-3-ol;1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(4-methyltriazol-2-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(5-piperidin-1-yl-2-pyridinyl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrrolo[1,2-a]pyrimidin-2-ylpropane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-[3-(trifluoromethyl)-2H-pyrrol-4-yl]pyrazin-2-yl]propane-1,3-diamine

N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-methyl-N-[5-(5-methylpyrazol-1-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]-3H-pyridazin-3-ol;1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(4-methyltriazol-2-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(5-piperidin-1-yl-2-pyridinyl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrrolo[1,2-a]pyrimidin-2-ylpropane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-[3-(trifluoromethyl)-2H-pyrrol-4-yl]pyrazin-2-yl]propane-1,3-diamine (PubChem CID 161411144) has the molecular formula C179H225F3N68O3S10 and a molecular weight of 3754.91 g/mol. Its IUPAC name is N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-methyl-N-[5-(5-methylpyrazol-1-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]-3H-pyridazin-3-ol;1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(4-methyltriazol-2-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(5-piperidin-1-yl-2-pyridinyl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrrolo[1,2-a]pyrimidin-2-ylpropane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-[3-(trifluoromethyl)-2H-pyrrol-4-yl]pyrazin-2-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-methyl-N-[5-(5-methylpyrazol-1-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]-3H-pyridazin-3-ol;1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(4-methyltriazol-2-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(5-piperidin-1-yl-2-pyridinyl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrrolo[1,2-a]pyrimidin-2-ylpropane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-[3-(trifluoromethyl)-2H-pyrrol-4-yl]pyrazin-2-yl]propane-1,3-diamine
PubChem CID161411144
Molecular FormulaC179H225F3N68O3S10
Molecular Weight3754.91 g/mol
Exact Mass3751.67
IUPAC NameN-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-methyl-N-[5-(5-methylpyrazol-1-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]-3H-pyridazin-3-ol;1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(4-methyltriazol-2-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(5-piperidin-1-yl-2-pyridinyl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrrolo[1,2-a]pyrimidin-2-ylpropane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-[3-(trifluoromethyl)-2H-pyrrol-4-yl]pyrazin-2-yl]propane-1,3-diamine
SMILESCOc1ccccc1-c1ccc(NCC(C)CNc2ncc(SC)cn2)nc1.CSc1cnc(NCC(C)CNc2ccc(-c3ncn(C)n3)cn2)nc1.CSc1cnc(NCC(C)CNc2ccc(-n3ccccc3=O)cn2)nc1.CSc1cnc(NCC(C)CNc2ccc(-n3cncn3)cn2)nc1.CSc1cnc(NCC(C)CNc2ccc(-n3ncc(C)n3)cn2)nc1.CSc1cnc(NCC(C)CNc2ccc(-n3nccc3C)cn2)nc1.CSc1cnc(NCC(C)CNc2ccc(N3CCCCC3)cn2)nc1.CSc1cnc(NCC(C)CNc2ccc(N3N=CC=CC3O)cn2)nc1.CSc1cnc(NCC(C)CNc2ccn3cccc3n2)nc1.CSc1cnc(NCC(C)CNc2cnc(C3=C(C(F)(F)F)CN=C3)cn2)nc1
InChIInChI=1S/C21H25N5OS.C19H22N6OS.C19H28N6S.C18H20F3N7S.C18H23N7OS.C18H23N7S.2C17H22N8S.C16H20N8S.C16H20N6S/c1-15(11-24-21-25-13-17(28-3)14-26-21)10-22-20-9-8-16(12-23-20)18-6-4-5-7-19(18)27-2;1-14(10-22-19-23-12-16(27-2)13-24-19)9-20-17-7-6-15(11-21-17)25-8-4-3-5-18(25)26;1-15(11-22-19-23-13-17(26-2)14-24-19)10-20-18-7-6-16(12-21-18)25-8-4-3-5-9-25;1-11(4-26-17-27-5-12(29-2)6-28-17)3-24-16-10-23-15(9-25-16)13-7-22-8-14(13)18(19,20)21;1-13(9-21-18-22-11-15(27-2)12-23-18)8-19-16-6-5-14(10-20-16)25-17(26)4-3-7-24-25;1-13(9-21-18-22-11-16(26-3)12-23-18)8-19-17-5-4-15(10-20-17)25-14(2)6-7-24-25;1-12(7-20-17-21-9-14(26-3)10-22-17)6-18-15-5-4-13(8-19-15)16-23-11-25(2)24-16;1-12(7-20-17-21-10-15(26-3)11-22-17)6-18-16-5-4-14(9-19-16)25-23-8-13(2)24-25;1-12(6-20-16-21-8-14(25-2)9-22-16)5-18-15-4-3-13(7-19-15)24-11-17-10-23-24;1-12(9-18-16-19-10-13(23-2)11-20-16)8-17-14-5-7-22-6-3-4-15(22)21-14/h4-9,12-15H,10-11H2,1-3H3,(H,22,23)(H,24,25,26);3-8,11-14H,9-10H2,1-2H3,(H,20,21)(H,22,23,24);6-7,12-15H,3-5,8-11H2,1-2H3,(H,20,21)(H,22,23,24);5-7,9-11H,3-4,8H2,1-2H3,(H,24,25)(H,26,27,28);3-7,10-13,17,26H,8-9H2,1-2H3,(H,19,20)(H,21,22,23);4-7,10-13H,8-9H2,1-3H3,(H,19,20)(H,21,22,23);2*4-5,8-12H,6-7H2,1-3H3,(H,18,19)(H,20,21,22);3-4,7-12H,5-6H2,1-2H3,(H,18,19)(H,20,21,22);3-7,10-12H,8-9H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyVVMGPEUIRDPGTC-UHFFFAOYSA-N
XLogP30.84
TPSA837.21 Ų
H-Bond Donors21
H-Bond Acceptors81
Rotatable Bonds80
Heavy Atoms263
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003754.91
LogP ≤ 530.84
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1081

Analyze N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-methyl-N-[5-(5-methylpyrazol-1-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]-3H-pyridazin-3-ol;1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(4-methyltriazol-2-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(5-piperidin-1-yl-2-pyridinyl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrrolo[1,2-a]pyrimidin-2-ylpropane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-[3-(trifluoromethyl)-2H-pyrrol-4-yl]pyrazin-2-yl]propane-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-methyl-N-[5-(5-methylpyrazol-1-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]-3H-pyridazin-3-ol;1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(4-methyltriazol-2-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(5-piperidin-1-yl-2-pyridinyl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrrolo[1,2-a]pyrimidin-2-ylpropane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-[3-(trifluoromethyl)-2H-pyrrol-4-yl]pyrazin-2-yl]propane-1,3-diamine?
The IUPAC name of N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-methyl-N-[5-(5-methylpyrazol-1-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]-3H-pyridazin-3-ol;1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(4-methyltriazol-2-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(5-piperidin-1-yl-2-pyridinyl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrrolo[1,2-a]pyrimidin-2-ylpropane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-[3-(trifluoromethyl)-2H-pyrrol-4-yl]pyrazin-2-yl]propane-1,3-diamine (CID 161411144) is N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-methyl-N-[5-(5-methylpyrazol-1-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]-3H-pyridazin-3-ol;1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(4-methyltriazol-2-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(5-piperidin-1-yl-2-pyridinyl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrrolo[1,2-a]pyrimidin-2-ylpropane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-[3-(trifluoromethyl)-2H-pyrrol-4-yl]pyrazin-2-yl]propane-1,3-diamine.
What is the SMILES notation for N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-methyl-N-[5-(5-methylpyrazol-1-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]-3H-pyridazin-3-ol;1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(4-methyltriazol-2-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(5-piperidin-1-yl-2-pyridinyl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrrolo[1,2-a]pyrimidin-2-ylpropane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-[3-(trifluoromethyl)-2H-pyrrol-4-yl]pyrazin-2-yl]propane-1,3-diamine?
The canonical SMILES for N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-methyl-N-[5-(5-methylpyrazol-1-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]-3H-pyridazin-3-ol;1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(4-methyltriazol-2-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(5-piperidin-1-yl-2-pyridinyl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrrolo[1,2-a]pyrimidin-2-ylpropane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-[3-(trifluoromethyl)-2H-pyrrol-4-yl]pyrazin-2-yl]propane-1,3-diamine is COc1ccccc1-c1ccc(NCC(C)CNc2ncc(SC)cn2)nc1.CSc1cnc(NCC(C)CNc2ccc(-c3ncn(C)n3)cn2)nc1.CSc1cnc(NCC(C)CNc2ccc(-n3ccccc3=O)cn2)nc1.CSc1cnc(NCC(C)CNc2ccc(-n3cncn3)cn2)nc1.CSc1cnc(NCC(C)CNc2ccc(-n3ncc(C)n3)cn2)nc1.CSc1cnc(NCC(C)CNc2ccc(-n3nccc3C)cn2)nc1.CSc1cnc(NCC(C)CNc2ccc(N3CCCCC3)cn2)nc1.CSc1cnc(NCC(C)CNc2ccc(N3N=CC=CC3O)cn2)nc1.CSc1cnc(NCC(C)CNc2ccn3cccc3n2)nc1.CSc1cnc(NCC(C)CNc2cnc(C3=C(C(F)(F)F)CN=C3)cn2)nc1.
What is the InChIKey of N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-methyl-N-[5-(5-methylpyrazol-1-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]-3H-pyridazin-3-ol;1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(4-methyltriazol-2-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(5-piperidin-1-yl-2-pyridinyl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrrolo[1,2-a]pyrimidin-2-ylpropane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-[3-(trifluoromethyl)-2H-pyrrol-4-yl]pyrazin-2-yl]propane-1,3-diamine?
The InChIKey is VVMGPEUIRDPGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS.C19H22N6OS.C19H28N6S.C18H20F3N7S.C18H23N7OS.C18H23N7S.2C17H22N8S.C16H20N8S.C16H20N6S/c1-15(11-24-21-25-13-17(28-3)14-26-21)10-22-20-9-8-16(12-23-20)18-6-4-5-7-19(18)27-2;1-14(10-22-19-23-12-16(27-2)13-24-19)9-20-17-7-6-15(11-21-17)25-8-4-3-5-18(25)26;1-15(11-22-19-23-13-17(26-2)14-24-19)10-20-18-7-6-16(12-21-18)25-8-4-3-5-9-25;1-11(4-26-17-27-5-12(29-2)6-28-17)3-24-16-10-23-15(9-25-16)13-7-22-8-14(13)18(19,20)21;1-13(9-21-18-22-11-15(27-2)12-23-18)8-19-16-6-5-14(10-20-16)25-17(26)4-3-7-24-25;1-13(9-21-18-22-11-16(26-3)12-23-18)8-19-17-5-4-15(10-20-17)25-14(2)6-7-24-25;1-12(7-20-17-21-9-14(26-3)10-22-17)6-18-15-5-4-13(8-19-15)16-23-11-25(2)24-16;1-12(7-20-17-21-10-15(26-3)11-22-17)6-18-16-5-4-14(9-19-16)25-23-8-13(2)24-25;1-12(6-20-16-21-8-14(25-2)9-22-16)5-18-15-4-3-13(7-19-15)24-11-17-10-23-24;1-12(9-18-16-19-10-13(23-2)11-20-16)8-17-14-5-7-22-6-3-4-15(22)21-14/h4-9,12-15H,10-11H2,1-3H3,(H,22,23)(H,24,25,26);3-8,11-14H,9-10H2,1-2H3,(H,20,21)(H,22,23,24);6-7,12-15H,3-5,8-11H2,1-2H3,(H,20,21)(H,22,23,24);5-7,9-11H,3-4,8H2,1-2H3,(H,24,25)(H,26,27,28);3-7,10-13,17,26H,8-9H2,1-2H3,(H,19,20)(H,21,22,23);4-7,10-13H,8-9H2,1-3H3,(H,19,20)(H,21,22,23);2*4-5,8-12H,6-7H2,1-3H3,(H,18,19)(H,20,21,22);3-4,7-12H,5-6H2,1-2H3,(H,18,19)(H,20,21,22);3-7,10-12H,8-9H2,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-methyl-N-[5-(5-methylpyrazol-1-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]-3H-pyridazin-3-ol;1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(4-methyltriazol-2-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(5-piperidin-1-yl-2-pyridinyl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrrolo[1,2-a]pyrimidin-2-ylpropane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-[3-(trifluoromethyl)-2H-pyrrol-4-yl]pyrazin-2-yl]propane-1,3-diamine?
N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-methyl-N-[5-(5-methylpyrazol-1-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]-3H-pyridazin-3-ol;1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(4-methyltriazol-2-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(5-piperidin-1-yl-2-pyridinyl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrrolo[1,2-a]pyrimidin-2-ylpropane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-[3-(trifluoromethyl)-2H-pyrrol-4-yl]pyrazin-2-yl]propane-1,3-diamine has a molecular weight of 3754.91 g/mol, XLogP of 30.84, 80 rotatable bonds, 21 hydrogen bond donors, and 81 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-methyl-N-[5-(5-methylpyrazol-1-yl)-2-pyridinyl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;2-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]-3H-pyridazin-3-ol;1-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridin-2-one;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(4-methyltriazol-2-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(5-piperidin-1-yl-2-pyridinyl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyrrolo[1,2-a]pyrimidin-2-ylpropane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-[5-[3-(trifluoromethyl)-2H-pyrrol-4-yl]pyrazin-2-yl]propane-1,3-diamine is sourced from PubChem (CID 161411144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).