N-[3-(aminomethyl)-2-pyridinyl]-N-methylmethanesulfonamide;(4-aminophenyl)methanol;2-aminopropane-1,3-diol;N-[3-[[[2-[4-(chloromethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanol;2,4-dichloro-5-(trifluoromethyl)pyrimidine;N-[3-[[[2-[4-[(1,3-dihydroxypropan-2-ylamino)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-[3-[[[2-[4-(hydroxymethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;thionyl dichloride

C98H110Cl6F15N29O16S5 — CID 158749418

IUPACN-[3-(aminomethyl)-2-pyridinyl]-N-methylmethanesulfonamide;(4-aminophenyl)methanol;2-aminopropane-1,3-diol;N-[3-[[[2-[4-(chloromethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanol;2,4-dichloro-5-(trifluoromethyl)pyrimidine;N-[3-[[[2-[4-[(1,3-dihydroxypropan-2-ylamino)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-[3-[[[2-[4-(hydroxymethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;thionyl dichloride
SMILESCN(c1ncccc1CN)S(C)(=O)=O.CN(c1ncccc1CNc1nc(Nc2ccc(CCl)cc2)ncc1C(F)(F)F)S(C)(=O)=O.CN(c1ncccc1CNc1nc(Nc2ccc(CNC(CO)CO)cc2)ncc1C(F)(F)F)S(C)(=O)=O.CN(c1ncccc1CNc1nc(Nc2ccc(CO)cc2)ncc1C(F)(F)F)S(C)(=O)=O.FC(F)(F)c1cnc(Cl)nc1Cl.NC(CO)CO.Nc1ccc(CO)cc1.O=S(Cl)Cl.OCc1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)cc1
InChIInChI=1S/C23H28F3N7O4S.C20H20ClF3N6O2S.C20H21F3N6O3S.C12H9ClF3N3O.C8H13N3O2S.C7H9NO.C5HCl2F3N2.C3H9NO2.Cl2OS/c1-33(38(2,36)37)21-16(4-3-9-27-21)11-29-20-19(23(24,25)26)12-30-22(32-20)31-17-7-5-15(6-8-17)10-28-18(13-34)14-35;1-30(33(2,31)32)18-14(4-3-9-25-18)11-26-17-16(20(22,23)24)12-27-19(29-17)28-15-7-5-13(10-21)6-8-15;1-29(33(2,31)32)18-14(4-3-9-24-18)10-25-17-16(20(21,22)23)11-26-19(28-17)27-15-7-5-13(12-30)6-8-15;13-10-9(12(14,15)16)5-17-11(19-10)18-8-3-1-7(6-20)2-4-8;1-11(14(2,12)13)8-7(6-9)4-3-5-10-8;8-7-3-1-6(5-9)2-4-7;6-3-2(5(8,9)10)1-11-4(7)12-3;4-3(1-5)2-6;1-4(2)3/h3-9,12,18,28,34-35H,10-11,13-14H2,1-2H3,(H2,29,30,31,32);3-9,12H,10-11H2,1-2H3,(H2,26,27,28,29);3-9,11,30H,10,12H2,1-2H3,(H2,25,26,27,28);1-5,20H,6H2,(H,17,18,19);3-5H,6,9H2,1-2H3;1-4,9H,5,8H2;1H;3,5-6H,1-2,4H2;
InChIKeyINHBRJZUYCNWDY-UHFFFAOYSA-N
MW2608.17 g/mol
LogP15.82
Rot. Bonds37

About N-[3-(aminomethyl)-2-pyridinyl]-N-methylmethanesulfonamide;(4-aminophenyl)methanol;2-aminopropane-1,3-diol;N-[3-[[[2-[4-(chloromethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanol;2,4-dichloro-5-(trifluoromethyl)pyrimidine;N-[3-[[[2-[4-[(1,3-dihydroxypropan-2-ylamino)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-[3-[[[2-[4-(hydroxymethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;thionyl dichloride

N-[3-(aminomethyl)-2-pyridinyl]-N-methylmethanesulfonamide;(4-aminophenyl)methanol;2-aminopropane-1,3-diol;N-[3-[[[2-[4-(chloromethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanol;2,4-dichloro-5-(trifluoromethyl)pyrimidine;N-[3-[[[2-[4-[(1,3-dihydroxypropan-2-ylamino)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-[3-[[[2-[4-(hydroxymethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;thionyl dichloride (PubChem CID 158749418) has the molecular formula C98H110Cl6F15N29O16S5 and a molecular weight of 2608.17 g/mol. Its IUPAC name is N-[3-(aminomethyl)-2-pyridinyl]-N-methylmethanesulfonamide;(4-aminophenyl)methanol;2-aminopropane-1,3-diol;N-[3-[[[2-[4-(chloromethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanol;2,4-dichloro-5-(trifluoromethyl)pyrimidine;N-[3-[[[2-[4-[(1,3-dihydroxypropan-2-ylamino)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-[3-[[[2-[4-(hydroxymethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;thionyl dichloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)-2-pyridinyl]-N-methylmethanesulfonamide;(4-aminophenyl)methanol;2-aminopropane-1,3-diol;N-[3-[[[2-[4-(chloromethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanol;2,4-dichloro-5-(trifluoromethyl)pyrimidine;N-[3-[[[2-[4-[(1,3-dihydroxypropan-2-ylamino)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-[3-[[[2-[4-(hydroxymethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;thionyl dichloride
PubChem CID158749418
Molecular FormulaC98H110Cl6F15N29O16S5
Molecular Weight2608.17 g/mol
Exact Mass2603.52
IUPAC NameN-[3-(aminomethyl)-2-pyridinyl]-N-methylmethanesulfonamide;(4-aminophenyl)methanol;2-aminopropane-1,3-diol;N-[3-[[[2-[4-(chloromethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanol;2,4-dichloro-5-(trifluoromethyl)pyrimidine;N-[3-[[[2-[4-[(1,3-dihydroxypropan-2-ylamino)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-[3-[[[2-[4-(hydroxymethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;thionyl dichloride
SMILESCN(c1ncccc1CN)S(C)(=O)=O.CN(c1ncccc1CNc1nc(Nc2ccc(CCl)cc2)ncc1C(F)(F)F)S(C)(=O)=O.CN(c1ncccc1CNc1nc(Nc2ccc(CNC(CO)CO)cc2)ncc1C(F)(F)F)S(C)(=O)=O.CN(c1ncccc1CNc1nc(Nc2ccc(CO)cc2)ncc1C(F)(F)F)S(C)(=O)=O.FC(F)(F)c1cnc(Cl)nc1Cl.NC(CO)CO.Nc1ccc(CO)cc1.O=S(Cl)Cl.OCc1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)cc1
InChIInChI=1S/C23H28F3N7O4S.C20H20ClF3N6O2S.C20H21F3N6O3S.C12H9ClF3N3O.C8H13N3O2S.C7H9NO.C5HCl2F3N2.C3H9NO2.Cl2OS/c1-33(38(2,36)37)21-16(4-3-9-27-21)11-29-20-19(23(24,25)26)12-30-22(32-20)31-17-7-5-15(6-8-17)10-28-18(13-34)14-35;1-30(33(2,31)32)18-14(4-3-9-25-18)11-26-17-16(20(22,23)24)12-27-19(29-17)28-15-7-5-13(10-21)6-8-15;1-29(33(2,31)32)18-14(4-3-9-24-18)10-25-17-16(20(21,22)23)11-26-19(28-17)27-15-7-5-13(12-30)6-8-15;13-10-9(12(14,15)16)5-17-11(19-10)18-8-3-1-7(6-20)2-4-8;1-11(14(2,12)13)8-7(6-9)4-3-5-10-8;8-7-3-1-6(5-9)2-4-7;6-3-2(5(8,9)10)1-11-4(7)12-3;4-3(1-5)2-6;1-4(2)3/h3-9,12,18,28,34-35H,10-11,13-14H2,1-2H3,(H2,29,30,31,32);3-9,12H,10-11H2,1-2H3,(H2,26,27,28,29);3-9,11,30H,10,12H2,1-2H3,(H2,25,26,27,28);1-5,20H,6H2,(H,17,18,19);3-5H,6,9H2,1-2H3;1-4,9H,5,8H2;1H;3,5-6H,1-2,4H2;
InChIKeyINHBRJZUYCNWDY-UHFFFAOYSA-N
XLogP15.82
TPSA662.96 Ų
H-Bond Donors18
H-Bond Acceptors41
Rotatable Bonds37
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002608.17
LogP ≤ 515.82
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[3-(aminomethyl)-2-pyridinyl]-N-methylmethanesulfonamide;(4-aminophenyl)methanol;2-aminopropane-1,3-diol;N-[3-[[[2-[4-(chloromethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanol;2,4-dichloro-5-(trifluoromethyl)pyrimidine;N-[3-[[[2-[4-[(1,3-dihydroxypropan-2-ylamino)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-[3-[[[2-[4-(hydroxymethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;thionyl dichloride with MolForge

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Related Compounds

CID 162586721
CID 162586721
N-[3-[[[2-(4-dimethoxyphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide
CID 58293078
1-[[3-[[[2-[4-(aminomethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-methylamino]ethenethiol
CID 162545702
N-[(1-methylcyclobutyl)methyl]-4-[[4-[[2-[methyl(methylsulfonyl)amino]-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 153307429
N-methyl-N-[3-[[[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide
CID 59606273
3-[[4-[[2-[methyl(methylsulfonyl)amino]-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid;2,2,2-trifluoroacetic acid
CID 86627982
N-(1-hydroxy-3-methylbutan-2-yl)-3-[[4-[[2-[methyl(methylsulfonyl)amino]-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 76611250
2-chloro-N-[[2-[methyl-[methyl(dimethylidene)-λ6-sulfanyl]amino]-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrimidin-4-amine
CID 145498041
N-methyl-N-[3-[[[2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide
CID 168876522
[2,4-dimethyl-3-[3-[[4-[[2-[methyl(methylsulfonyl)amino]-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pentan-3-yl]oxy-hydroxy-oxophosphanium
CID 162622263
N-[3-[[[2-(2-benzoylhydrazinyl)-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide
CID 152770032
N-(1-hydroxy-2-methylbutan-2-yl)-3-[[4-[[2-[methyl(methylsulfonyl)amino]-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 174221781

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-2-pyridinyl]-N-methylmethanesulfonamide;(4-aminophenyl)methanol;2-aminopropane-1,3-diol;N-[3-[[[2-[4-(chloromethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanol;2,4-dichloro-5-(trifluoromethyl)pyrimidine;N-[3-[[[2-[4-[(1,3-dihydroxypropan-2-ylamino)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-[3-[[[2-[4-(hydroxymethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;thionyl dichloride?
The IUPAC name of N-[3-(aminomethyl)-2-pyridinyl]-N-methylmethanesulfonamide;(4-aminophenyl)methanol;2-aminopropane-1,3-diol;N-[3-[[[2-[4-(chloromethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanol;2,4-dichloro-5-(trifluoromethyl)pyrimidine;N-[3-[[[2-[4-[(1,3-dihydroxypropan-2-ylamino)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-[3-[[[2-[4-(hydroxymethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;thionyl dichloride (CID 158749418) is N-[3-(aminomethyl)-2-pyridinyl]-N-methylmethanesulfonamide;(4-aminophenyl)methanol;2-aminopropane-1,3-diol;N-[3-[[[2-[4-(chloromethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanol;2,4-dichloro-5-(trifluoromethyl)pyrimidine;N-[3-[[[2-[4-[(1,3-dihydroxypropan-2-ylamino)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-[3-[[[2-[4-(hydroxymethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;thionyl dichloride.
What is the SMILES notation for N-[3-(aminomethyl)-2-pyridinyl]-N-methylmethanesulfonamide;(4-aminophenyl)methanol;2-aminopropane-1,3-diol;N-[3-[[[2-[4-(chloromethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanol;2,4-dichloro-5-(trifluoromethyl)pyrimidine;N-[3-[[[2-[4-[(1,3-dihydroxypropan-2-ylamino)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-[3-[[[2-[4-(hydroxymethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;thionyl dichloride?
The canonical SMILES for N-[3-(aminomethyl)-2-pyridinyl]-N-methylmethanesulfonamide;(4-aminophenyl)methanol;2-aminopropane-1,3-diol;N-[3-[[[2-[4-(chloromethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanol;2,4-dichloro-5-(trifluoromethyl)pyrimidine;N-[3-[[[2-[4-[(1,3-dihydroxypropan-2-ylamino)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-[3-[[[2-[4-(hydroxymethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;thionyl dichloride is CN(c1ncccc1CN)S(C)(=O)=O.CN(c1ncccc1CNc1nc(Nc2ccc(CCl)cc2)ncc1C(F)(F)F)S(C)(=O)=O.CN(c1ncccc1CNc1nc(Nc2ccc(CNC(CO)CO)cc2)ncc1C(F)(F)F)S(C)(=O)=O.CN(c1ncccc1CNc1nc(Nc2ccc(CO)cc2)ncc1C(F)(F)F)S(C)(=O)=O.FC(F)(F)c1cnc(Cl)nc1Cl.NC(CO)CO.Nc1ccc(CO)cc1.O=S(Cl)Cl.OCc1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)cc1.
What is the InChIKey of N-[3-(aminomethyl)-2-pyridinyl]-N-methylmethanesulfonamide;(4-aminophenyl)methanol;2-aminopropane-1,3-diol;N-[3-[[[2-[4-(chloromethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanol;2,4-dichloro-5-(trifluoromethyl)pyrimidine;N-[3-[[[2-[4-[(1,3-dihydroxypropan-2-ylamino)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-[3-[[[2-[4-(hydroxymethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;thionyl dichloride?
The InChIKey is INHBRJZUYCNWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N7O4S.C20H20ClF3N6O2S.C20H21F3N6O3S.C12H9ClF3N3O.C8H13N3O2S.C7H9NO.C5HCl2F3N2.C3H9NO2.Cl2OS/c1-33(38(2,36)37)21-16(4-3-9-27-21)11-29-20-19(23(24,25)26)12-30-22(32-20)31-17-7-5-15(6-8-17)10-28-18(13-34)14-35;1-30(33(2,31)32)18-14(4-3-9-25-18)11-26-17-16(20(22,23)24)12-27-19(29-17)28-15-7-5-13(10-21)6-8-15;1-29(33(2,31)32)18-14(4-3-9-24-18)10-25-17-16(20(21,22)23)11-26-19(28-17)27-15-7-5-13(12-30)6-8-15;13-10-9(12(14,15)16)5-17-11(19-10)18-8-3-1-7(6-20)2-4-8;1-11(14(2,12)13)8-7(6-9)4-3-5-10-8;8-7-3-1-6(5-9)2-4-7;6-3-2(5(8,9)10)1-11-4(7)12-3;4-3(1-5)2-6;1-4(2)3/h3-9,12,18,28,34-35H,10-11,13-14H2,1-2H3,(H2,29,30,31,32);3-9,12H,10-11H2,1-2H3,(H2,26,27,28,29);3-9,11,30H,10,12H2,1-2H3,(H2,25,26,27,28);1-5,20H,6H2,(H,17,18,19);3-5H,6,9H2,1-2H3;1-4,9H,5,8H2;1H;3,5-6H,1-2,4H2;.
What are the key properties of N-[3-(aminomethyl)-2-pyridinyl]-N-methylmethanesulfonamide;(4-aminophenyl)methanol;2-aminopropane-1,3-diol;N-[3-[[[2-[4-(chloromethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanol;2,4-dichloro-5-(trifluoromethyl)pyrimidine;N-[3-[[[2-[4-[(1,3-dihydroxypropan-2-ylamino)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-[3-[[[2-[4-(hydroxymethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;thionyl dichloride?
N-[3-(aminomethyl)-2-pyridinyl]-N-methylmethanesulfonamide;(4-aminophenyl)methanol;2-aminopropane-1,3-diol;N-[3-[[[2-[4-(chloromethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanol;2,4-dichloro-5-(trifluoromethyl)pyrimidine;N-[3-[[[2-[4-[(1,3-dihydroxypropan-2-ylamino)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-[3-[[[2-[4-(hydroxymethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;thionyl dichloride has a molecular weight of 2608.17 g/mol, XLogP of 15.82, 37 rotatable bonds, 18 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-2-pyridinyl]-N-methylmethanesulfonamide;(4-aminophenyl)methanol;2-aminopropane-1,3-diol;N-[3-[[[2-[4-(chloromethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanol;2,4-dichloro-5-(trifluoromethyl)pyrimidine;N-[3-[[[2-[4-[(1,3-dihydroxypropan-2-ylamino)methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;N-[3-[[[2-[4-(hydroxymethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide;thionyl dichloride is sourced from PubChem (CID 158749418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).