2-[4-[[[6-[1,3-benzodioxol-4-ylmethyl(ethyl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[3-(difluoromethoxy)phenyl]methyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[[3-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide

C132H148F11N35O10S — CID 159767027

IUPAC2-[4-[[[6-[1,3-benzodioxol-4-ylmethyl(ethyl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[3-(difluoromethoxy)phenyl]methyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[[3-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide
SMILESCCCn1nc(C)cc1CN(C)c1ncnc(NCc2ccc(CC(N)=O)cc2)c1F.CCN(Cc1cccc2c1OCO2)c1ncnc(NCc2ccc(CC(N)=O)cc2)c1F.CCN(Cc1cn(CC)nc1C)c1ncnc(NCc2ccc(CC(N)=O)cc2)c1F.CN(Cc1cccc(OC(F)(F)F)c1)c1ncnc(NCc2ccc(CC(N)=O)cc2)c1F.CN(Cc1cccc(OC(F)F)c1)c1ncnc(NCc2ccc(CC(N)=O)cc2)c1F.Cc1nc(C)c(C(C)N(C)c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)s1
InChIInChI=1S/C23H24FN5O3.C22H21F4N5O2.C22H22F3N5O2.2C22H28FN7O.C21H25FN6OS/c1-2-29(12-17-4-3-5-18-21(17)32-14-31-18)23-20(24)22(27-13-28-23)26-11-16-8-6-15(7-9-16)10-19(25)30;1-31(12-16-3-2-4-17(9-16)33-22(24,25)26)21-19(23)20(29-13-30-21)28-11-15-7-5-14(6-8-15)10-18(27)32;1-30(12-16-3-2-4-17(9-16)32-22(24)25)21-19(23)20(28-13-29-21)27-11-15-7-5-14(6-8-15)10-18(26)31;1-4-9-30-18(10-15(2)28-30)13-29(3)22-20(23)21(26-14-27-22)25-12-17-7-5-16(6-8-17)11-19(24)31;1-4-29(12-18-13-30(5-2)28-15(18)3)22-20(23)21(26-14-27-22)25-11-17-8-6-16(7-9-17)10-19(24)31;1-12-19(30-14(3)27-12)13(2)28(4)21-18(22)20(25-11-26-21)24-10-16-7-5-15(6-8-16)9-17(23)29/h3-9,13H,2,10-12,14H2,1H3,(H2,25,30)(H,26,27,28);2-9,13H,10-12H2,1H3,(H2,27,32)(H,28,29,30);2-9,13,22H,10-12H2,1H3,(H2,26,31)(H,27,28,29);5-8,10,14H,4,9,11-13H2,1-3H3,(H2,24,31)(H,25,26,27);6-9,13-14H,4-5,10-12H2,1-3H3,(H2,24,31)(H,25,26,27);5-8,11,13H,9-10H2,1-4H3,(H2,23,29)(H,24,25,26)
InChIKeyNFQCHWXBPNUISF-UHFFFAOYSA-N
MW2625.92 g/mol
LogP19.43
Rot. Bonds56

About 2-[4-[[[6-[1,3-benzodioxol-4-ylmethyl(ethyl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[3-(difluoromethoxy)phenyl]methyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[[3-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide

2-[4-[[[6-[1,3-benzodioxol-4-ylmethyl(ethyl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[3-(difluoromethoxy)phenyl]methyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[[3-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide (PubChem CID 159767027) has the molecular formula C132H148F11N35O10S and a molecular weight of 2625.92 g/mol. Its IUPAC name is 2-[4-[[[6-[1,3-benzodioxol-4-ylmethyl(ethyl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[3-(difluoromethoxy)phenyl]methyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[[3-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[[6-[1,3-benzodioxol-4-ylmethyl(ethyl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[3-(difluoromethoxy)phenyl]methyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[[3-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide
PubChem CID159767027
Molecular FormulaC132H148F11N35O10S
Molecular Weight2625.92 g/mol
Exact Mass2624.17
IUPAC Name2-[4-[[[6-[1,3-benzodioxol-4-ylmethyl(ethyl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[3-(difluoromethoxy)phenyl]methyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[[3-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide
SMILESCCCn1nc(C)cc1CN(C)c1ncnc(NCc2ccc(CC(N)=O)cc2)c1F.CCN(Cc1cccc2c1OCO2)c1ncnc(NCc2ccc(CC(N)=O)cc2)c1F.CCN(Cc1cn(CC)nc1C)c1ncnc(NCc2ccc(CC(N)=O)cc2)c1F.CN(Cc1cccc(OC(F)(F)F)c1)c1ncnc(NCc2ccc(CC(N)=O)cc2)c1F.CN(Cc1cccc(OC(F)F)c1)c1ncnc(NCc2ccc(CC(N)=O)cc2)c1F.Cc1nc(C)c(C(C)N(C)c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)s1
InChIInChI=1S/C23H24FN5O3.C22H21F4N5O2.C22H22F3N5O2.2C22H28FN7O.C21H25FN6OS/c1-2-29(12-17-4-3-5-18-21(17)32-14-31-18)23-20(24)22(27-13-28-23)26-11-16-8-6-15(7-9-16)10-19(25)30;1-31(12-16-3-2-4-17(9-16)33-22(24,25)26)21-19(23)20(29-13-30-21)28-11-15-7-5-14(6-8-15)10-18(27)32;1-30(12-16-3-2-4-17(9-16)32-22(24)25)21-19(23)20(28-13-29-21)27-11-15-7-5-14(6-8-15)10-18(26)31;1-4-9-30-18(10-15(2)28-30)13-29(3)22-20(23)21(26-14-27-22)25-12-17-7-5-16(6-8-17)11-19(24)31;1-4-29(12-18-13-30(5-2)28-15(18)3)22-20(23)21(26-14-27-22)25-11-17-8-6-16(7-9-17)10-19(24)31;1-12-19(30-14(3)27-12)13(2)28(4)21-18(22)20(25-11-26-21)24-10-16-7-5-15(6-8-16)9-17(23)29/h3-9,13H,2,10-12,14H2,1H3,(H2,25,30)(H,26,27,28);2-9,13H,10-12H2,1H3,(H2,27,32)(H,28,29,30);2-9,13,22H,10-12H2,1H3,(H2,26,31)(H,27,28,29);5-8,10,14H,4,9,11-13H2,1-3H3,(H2,24,31)(H,25,26,27);6-9,13-14H,4-5,10-12H2,1-3H3,(H2,24,31)(H,25,26,27);5-8,11,13H,9-10H2,1-4H3,(H2,23,29)(H,24,25,26)
InChIKeyNFQCHWXBPNUISF-UHFFFAOYSA-N
XLogP19.43
TPSA590.29 Ų
H-Bond Donors12
H-Bond Acceptors40
Rotatable Bonds56
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002625.92
LogP ≤ 519.43
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1040

Analyze 2-[4-[[[6-[1,3-benzodioxol-4-ylmethyl(ethyl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[3-(difluoromethoxy)phenyl]methyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[[3-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide with MolForge

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Related Compounds

3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazol-2-yl]morpholine;4-[4-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazol-2-yl]morpholine;(2,6-difluorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;4-[4-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazol-2-yl]morpholine
CID 160042133
3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(4-methylpiperazin-1-yl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazol-2-yl]morpholine;4-[4-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazol-2-yl]morpholine
CID 160135177
3-(2,2-difluoro-1,3-benzodioxol-4-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(4-methylpiperazin-1-yl)sulfonylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazol-2-yl]morpholine;(2,6-difluorophenyl)-[5-(2-morpholin-4-yl-1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;(2,6-difluorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 160852676
2-[4-[2-[6-[1,3-Benzodioxol-4-ylmethyl(ethyl)amino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;1-[4-[[[6-[cyclopropyl-[(3-pyridin-3-ylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]propan-2-one;2-[4-[2-[6-[[3-(1,1-difluoroethyl)phenyl]methyl-methylamino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[[3-(difluoromethoxy)phenyl]methyl-methylamino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl(1-naphthalen-1-ylethyl)amino]pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[methyl-[[3-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]ethyl]phenyl]acetamide
CID 161602678

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[6-[1,3-benzodioxol-4-ylmethyl(ethyl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[3-(difluoromethoxy)phenyl]methyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[[3-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide?
The IUPAC name of 2-[4-[[[6-[1,3-benzodioxol-4-ylmethyl(ethyl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[3-(difluoromethoxy)phenyl]methyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[[3-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide (CID 159767027) is 2-[4-[[[6-[1,3-benzodioxol-4-ylmethyl(ethyl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[3-(difluoromethoxy)phenyl]methyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[[3-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[[6-[1,3-benzodioxol-4-ylmethyl(ethyl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[3-(difluoromethoxy)phenyl]methyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[[3-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[[[6-[1,3-benzodioxol-4-ylmethyl(ethyl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[3-(difluoromethoxy)phenyl]methyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[[3-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide is CCCn1nc(C)cc1CN(C)c1ncnc(NCc2ccc(CC(N)=O)cc2)c1F.CCN(Cc1cccc2c1OCO2)c1ncnc(NCc2ccc(CC(N)=O)cc2)c1F.CCN(Cc1cn(CC)nc1C)c1ncnc(NCc2ccc(CC(N)=O)cc2)c1F.CN(Cc1cccc(OC(F)(F)F)c1)c1ncnc(NCc2ccc(CC(N)=O)cc2)c1F.CN(Cc1cccc(OC(F)F)c1)c1ncnc(NCc2ccc(CC(N)=O)cc2)c1F.Cc1nc(C)c(C(C)N(C)c2ncnc(NCc3ccc(CC(N)=O)cc3)c2F)s1.
What is the InChIKey of 2-[4-[[[6-[1,3-benzodioxol-4-ylmethyl(ethyl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[3-(difluoromethoxy)phenyl]methyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[[3-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide?
The InChIKey is NFQCHWXBPNUISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3.C22H21F4N5O2.C22H22F3N5O2.2C22H28FN7O.C21H25FN6OS/c1-2-29(12-17-4-3-5-18-21(17)32-14-31-18)23-20(24)22(27-13-28-23)26-11-16-8-6-15(7-9-16)10-19(25)30;1-31(12-16-3-2-4-17(9-16)33-22(24,25)26)21-19(23)20(29-13-30-21)28-11-15-7-5-14(6-8-15)10-18(27)32;1-30(12-16-3-2-4-17(9-16)32-22(24)25)21-19(23)20(28-13-29-21)27-11-15-7-5-14(6-8-15)10-18(26)31;1-4-9-30-18(10-15(2)28-30)13-29(3)22-20(23)21(26-14-27-22)25-12-17-7-5-16(6-8-17)11-19(24)31;1-4-29(12-18-13-30(5-2)28-15(18)3)22-20(23)21(26-14-27-22)25-11-17-8-6-16(7-9-17)10-19(24)31;1-12-19(30-14(3)27-12)13(2)28(4)21-18(22)20(25-11-26-21)24-10-16-7-5-15(6-8-16)9-17(23)29/h3-9,13H,2,10-12,14H2,1H3,(H2,25,30)(H,26,27,28);2-9,13H,10-12H2,1H3,(H2,27,32)(H,28,29,30);2-9,13,22H,10-12H2,1H3,(H2,26,31)(H,27,28,29);5-8,10,14H,4,9,11-13H2,1-3H3,(H2,24,31)(H,25,26,27);6-9,13-14H,4-5,10-12H2,1-3H3,(H2,24,31)(H,25,26,27);5-8,11,13H,9-10H2,1-4H3,(H2,23,29)(H,24,25,26).
What are the key properties of 2-[4-[[[6-[1,3-benzodioxol-4-ylmethyl(ethyl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[3-(difluoromethoxy)phenyl]methyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[[3-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide?
2-[4-[[[6-[1,3-benzodioxol-4-ylmethyl(ethyl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[3-(difluoromethoxy)phenyl]methyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[[3-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide has a molecular weight of 2625.92 g/mol, XLogP of 19.43, 56 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[6-[1,3-benzodioxol-4-ylmethyl(ethyl)amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[3-(difluoromethoxy)phenyl]methyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[ethyl-[(1-ethyl-3-methylpyrazol-4-yl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[5-fluoro-6-[methyl-[[3-(trifluoromethoxy)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 159767027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).