6-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-hydroxypropyl]benzenesulfonamide;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]pyrimidine-2,4-diamine

C123H125Cl6N27O13S4 — CID 161083417

IUPAC6-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-hydroxypropyl]benzenesulfonamide;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]pyrimidine-2,4-diamine
SMILESC#CCN(C)C(=O)c1ccc(CCNc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.C#Cc1ccc(CCNc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCC(O)c2ccc(S(C)(=O)=O)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCC(O)c2ccc(S(N)(=O)=O)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCOc2ccc(S(C)(=O)=O)cn2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCOc2ccc(S(N)(=O)=O)cn2)nc(N)n1
InChIInChI=1S/C24H24ClN5O.C21H19ClN4.C21H22ClN3O3S.C20H21ClN4O3S.C19H20ClN5O3S.C18H19ClN6O3S/c1-4-14-30(3)23(31)18-10-8-17(9-11-18)12-13-27-22-15-21(28-24(26)29-22)19-6-5-7-20(25)16(19)2;1-3-15-7-9-16(10-8-15)11-12-24-20-13-19(25-21(23)26-20)17-5-4-6-18(22)14(17)2;1-13-17(4-3-5-18(13)22)19-12-15(24-21(23)25-19)8-11-20(26)14-6-9-16(10-7-14)29(2,27)28;1-12-16(3-2-4-17(12)21)18-11-14(24-20(22)25-18)7-10-19(26)13-5-8-15(9-6-13)29(23,27)28;1-12-14(4-3-5-15(12)20)16-10-17(25-19(21)24-16)22-8-9-28-18-7-6-13(11-23-18)29(2,26)27;1-11-13(3-2-4-14(11)19)15-9-16(25-18(20)24-15)22-7-8-28-17-6-5-12(10-23-17)29(21,26)27/h1,5-11,15H,12-14H2,2-3H3,(H3,26,27,28,29);1,4-10,13H,11-12H2,2H3,(H3,23,24,25,26);3-7,9-10,12,20,26H,8,11H2,1-2H3,(H2,23,24,25);2-6,8-9,11,19,26H,7,10H2,1H3,(H2,22,24,25)(H2,23,27,28);3-7,10-11H,8-9H2,1-2H3,(H3,21,22,24,25);2-6,9-10H,7-8H2,1H3,(H2,21,26,27)(H3,20,22,24,25)
InChIKeyUGEWKCRCXWJGAP-UHFFFAOYSA-N
MW2530.51 g/mol
LogP20.33
Rot. Bonds38

About 6-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-hydroxypropyl]benzenesulfonamide;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]pyrimidine-2,4-diamine

6-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-hydroxypropyl]benzenesulfonamide;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]pyrimidine-2,4-diamine (PubChem CID 161083417) has the molecular formula C123H125Cl6N27O13S4 and a molecular weight of 2530.51 g/mol. Its IUPAC name is 6-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-hydroxypropyl]benzenesulfonamide;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-hydroxypropyl]benzenesulfonamide;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]pyrimidine-2,4-diamine
PubChem CID161083417
Molecular FormulaC123H125Cl6N27O13S4
Molecular Weight2530.51 g/mol
Exact Mass2525.70
IUPAC Name6-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-hydroxypropyl]benzenesulfonamide;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]pyrimidine-2,4-diamine
SMILESC#CCN(C)C(=O)c1ccc(CCNc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.C#Cc1ccc(CCNc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCC(O)c2ccc(S(C)(=O)=O)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCC(O)c2ccc(S(N)(=O)=O)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCOc2ccc(S(C)(=O)=O)cn2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCOc2ccc(S(N)(=O)=O)cn2)nc(N)n1
InChIInChI=1S/C24H24ClN5O.C21H19ClN4.C21H22ClN3O3S.C20H21ClN4O3S.C19H20ClN5O3S.C18H19ClN6O3S/c1-4-14-30(3)23(31)18-10-8-17(9-11-18)12-13-27-22-15-21(28-24(26)29-22)19-6-5-7-20(25)16(19)2;1-3-15-7-9-16(10-8-15)11-12-24-20-13-19(25-21(23)26-20)17-5-4-6-18(22)14(17)2;1-13-17(4-3-5-18(13)22)19-12-15(24-21(23)25-19)8-11-20(26)14-6-9-16(10-7-14)29(2,27)28;1-12-16(3-2-4-17(12)21)18-11-14(24-20(22)25-18)7-10-19(26)13-5-8-15(9-6-13)29(23,27)28;1-12-14(4-3-5-15(12)20)16-10-17(25-19(21)24-16)22-8-9-28-18-7-6-13(11-23-18)29(2,26)27;1-11-13(3-2-4-14(11)19)15-9-16(25-18(20)24-15)22-7-8-28-17-6-5-12(10-23-17)29(21,26)27/h1,5-11,15H,12-14H2,2-3H3,(H3,26,27,28,29);1,4-10,13H,11-12H2,2H3,(H3,23,24,25,26);3-7,9-10,12,20,26H,8,11H2,1-2H3,(H2,23,24,25);2-6,8-9,11,19,26H,7,10H2,1H3,(H2,22,24,25)(H2,23,27,28);3-7,10-11H,8-9H2,1-2H3,(H3,21,22,24,25);2-6,9-10H,7-8H2,1H3,(H2,21,26,27)(H3,20,22,24,25)
InChIKeyUGEWKCRCXWJGAP-UHFFFAOYSA-N
XLogP20.33
TPSA652.53 Ų
H-Bond Donors14
H-Bond Acceptors37
Rotatable Bonds38
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002530.51
LogP ≤ 520.33
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 6-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-hydroxypropyl]benzenesulfonamide;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

5-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-(3-fluorophenyl)pentan-2-one;4-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-morpholin-4-ylbutan-1-one;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-fluorophenyl)sulfonylpropyl]pyrimidine-2,4-diamine
CID 158276644
6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyridine-3-carboxamide;2-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propoxy]pyrimidine-4-carboxamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(2-methoxyethyl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine
CID 157412885
7-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]-1-(4-methylsulfanylphenyl)heptan-2-one;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-N-methylpyridine-3-sulfonamide;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-carboxamide;6-[5-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]pentyl]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine
CID 157796915
6-(2-Chloro-4-methylphenyl)-8-[[3-(2-methoxyethylsulfonyl)-4-pyridinyl]methyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;8-[(2-cyclopentylsulfinylphenyl)methyl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[3-[2-(dimethylamino)ethylsulfonyl]-2-pyridinyl]methyl]-6-ethynyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-(oxane-4-carbonyl)-8-[(4-propan-2-ylsulfinylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 157914881
[4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;5-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]acetamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]methanesulfonamide;tert-butyl 4-[2-amino-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dimethylphenyl)-4-N-[3-(6-methoxy-4-methyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine
CID 158012794
4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine
CID 158241815
[2-[2-amino-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-4-yl]-6-chlorophenyl]methanol;4-(3-chloro-2-methylphenyl)-6-[3-(4-ethylphenyl)propyl]pyrimidin-2-amine;4-(3-chloro-2-methylphenyl)-6-[(3Z)-3-(fluoromethylidene)-5-(4-fluorophenyl)pentyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]pyrimidine-2,4-diamine;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfinylmethyl]benzoate
CID 158305307
2-benzyl-5-propan-2-ylpyridine;2-(2-chlorophenyl)-5-propan-2-ylpyridine;N,N-dimethyl-3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-(2,3-dimethylphenoxy)-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;3-(3-ethylphenyl)-2-methyl-5-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyridine;N-(2-methoxyphenyl)-5-propan-2-ylpyridin-2-amine;2-(4-methylphenyl)sulfonyl-3-propan-2-ylpyridine;4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenol
CID 158591832
4-[(1S,2S)-2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]cyclopropyl]benzenesulfonamide;[4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;5-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;tert-butyl 4-[2-amino-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dimethylphenyl)-4-N-[3-(6-methoxy-4-methyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine
CID 159669243
5-chloro-2-N-[5-(1-ethylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-[5-(1-methylpiperidin-4-yl)-3-propan-2-yloxy-2-pyridinyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;5-chloro-2-N-(5-piperidin-4-yl-3-propan-2-yloxy-2-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine;4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyridinyl]amino]-3-fluorophenyl]-N-methylbenzamide
CID 159962499
6-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxan-4-yl)benzenesulfonamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine
CID 160637984
2-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]guanidine;6-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfanyl]pyridine-3-sulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(4-methylsulfonylphenyl)methylsulfanyl]ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(4-methylsulfonylphenyl)methylsulfinyl]ethyl]pyrimidine-2,4-diamine;propan-2-yl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate
CID 161831728

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-hydroxypropyl]benzenesulfonamide;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-hydroxypropyl]benzenesulfonamide;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]pyrimidine-2,4-diamine (CID 161083417) is 6-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-hydroxypropyl]benzenesulfonamide;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-hydroxypropyl]benzenesulfonamide;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-hydroxypropyl]benzenesulfonamide;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]pyrimidine-2,4-diamine is C#CCN(C)C(=O)c1ccc(CCNc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.C#Cc1ccc(CCNc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(CCC(O)c2ccc(S(C)(=O)=O)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCC(O)c2ccc(S(N)(=O)=O)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCOc2ccc(S(C)(=O)=O)cn2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCOc2ccc(S(N)(=O)=O)cn2)nc(N)n1.
What is the InChIKey of 6-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-hydroxypropyl]benzenesulfonamide;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]pyrimidine-2,4-diamine?
The InChIKey is UGEWKCRCXWJGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O.C21H19ClN4.C21H22ClN3O3S.C20H21ClN4O3S.C19H20ClN5O3S.C18H19ClN6O3S/c1-4-14-30(3)23(31)18-10-8-17(9-11-18)12-13-27-22-15-21(28-24(26)29-22)19-6-5-7-20(25)16(19)2;1-3-15-7-9-16(10-8-15)11-12-24-20-13-19(25-21(23)26-20)17-5-4-6-18(22)14(17)2;1-13-17(4-3-5-18(13)22)19-12-15(24-21(23)25-19)8-11-20(26)14-6-9-16(10-7-14)29(2,27)28;1-12-16(3-2-4-17(12)21)18-11-14(24-20(22)25-18)7-10-19(26)13-5-8-15(9-6-13)29(23,27)28;1-12-14(4-3-5-15(12)20)16-10-17(25-19(21)24-16)22-8-9-28-18-7-6-13(11-23-18)29(2,26)27;1-11-13(3-2-4-14(11)19)15-9-16(25-18(20)24-15)22-7-8-28-17-6-5-12(10-23-17)29(21,26)27/h1,5-11,15H,12-14H2,2-3H3,(H3,26,27,28,29);1,4-10,13H,11-12H2,2H3,(H3,23,24,25,26);3-7,9-10,12,20,26H,8,11H2,1-2H3,(H2,23,24,25);2-6,8-9,11,19,26H,7,10H2,1H3,(H2,22,24,25)(H2,23,27,28);3-7,10-11H,8-9H2,1-2H3,(H3,21,22,24,25);2-6,9-10H,7-8H2,1H3,(H2,21,26,27)(H3,20,22,24,25).
What are the key properties of 6-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-hydroxypropyl]benzenesulfonamide;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]pyrimidine-2,4-diamine?
6-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-hydroxypropyl]benzenesulfonamide;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]pyrimidine-2,4-diamine has a molecular weight of 2530.51 g/mol, XLogP of 20.33, 38 rotatable bonds, 14 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethoxy]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N-methyl-N-prop-2-ynylbenzamide;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-hydroxypropyl]benzenesulfonamide;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-ethynylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(5-methylsulfonyl-2-pyridinyl)oxy]ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 161083417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).