4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine

C125H137Cl6F4N35O7S2 — CID 161373706

IUPAC4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine
SMILESCc1c(Cl)cccc1-c1cc(CCCNc2ccc(S(C)=O)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCNc2ncc(C(N)=O)c(C(F)(F)F)n2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCc2ccc(NC(=O)OC(C)(C)C)cn2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCc2ccc(S(=O)(=O)C(C)C)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCc2nc(N)nc(N)n2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccc(C(N)=O)cc2F)nc(N)n1
InChIInChI=1S/C24H29ClN6O2.C23H27ClN4O2S.C21H23ClN4OS.C20H19ClF3N7O.C20H19ClFN5O.C17H20ClN9/c1-15-18(8-5-9-19(15)25)20-13-21(31-22(26)30-20)27-12-6-7-16-10-11-17(14-28-16)29-23(32)33-24(2,3)4;1-15(2)31(29,30)18-11-9-17(10-12-18)6-5-13-26-22-14-21(27-23(25)28-22)19-7-4-8-20(24)16(19)3;1-14-18(6-3-7-19(14)22)20-13-16(25-21(23)26-20)5-4-12-24-15-8-10-17(11-9-15)28(2)27;1-10-12(5-2-6-14(10)21)15-8-11(29-18(26)30-15)4-3-7-27-19-28-9-13(17(25)32)16(31-19)20(22,23)24;1-11-14(3-2-4-15(11)21)17-10-18(27-20(24)26-17)25-8-7-12-5-6-13(19(23)28)9-16(12)22;1-9-10(4-2-5-11(9)18)12-8-14(26-15(19)23-12)22-7-3-6-13-24-16(20)27-17(21)25-13/h5,8-11,13-14H,6-7,12H2,1-4H3,(H,29,32)(H3,26,27,30,31);4,7-12,14-15H,5-6,13H2,1-3H3,(H3,25,26,27,28);3,6-11,13,24H,4-5,12H2,1-2H3,(H2,23,25,26);2,5-6,8-9H,3-4,7H2,1H3,(H2,25,32)(H2,26,29,30)(H,27,28,31);2-6,9-10H,7-8H2,1H3,(H2,23,28)(H3,24,25,26,27);2,4-5,8H,3,6-7H2,1H3,(H3,19,22,23,26)(H4,20,21,24,25,27)
InChIKeyVQULYBLPPUICTG-UHFFFAOYSA-N
MW2594.55 g/mol
LogP24.16
Rot. Bonds41

About 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine

4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine (PubChem CID 161373706) has the molecular formula C125H137Cl6F4N35O7S2 and a molecular weight of 2594.55 g/mol. Its IUPAC name is 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine
PubChem CID161373706
Molecular FormulaC125H137Cl6F4N35O7S2
Molecular Weight2594.55 g/mol
Exact Mass2589.89
IUPAC Name4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine
SMILESCc1c(Cl)cccc1-c1cc(CCCNc2ccc(S(C)=O)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCNc2ncc(C(N)=O)c(C(F)(F)F)n2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCc2ccc(NC(=O)OC(C)(C)C)cn2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCc2ccc(S(=O)(=O)C(C)C)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCc2nc(N)nc(N)n2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccc(C(N)=O)cc2F)nc(N)n1
InChIInChI=1S/C24H29ClN6O2.C23H27ClN4O2S.C21H23ClN4OS.C20H19ClF3N7O.C20H19ClFN5O.C17H20ClN9/c1-15-18(8-5-9-19(15)25)20-13-21(31-22(26)30-20)27-12-6-7-16-10-11-17(14-28-16)29-23(32)33-24(2,3)4;1-15(2)31(29,30)18-11-9-17(10-12-18)6-5-13-26-22-14-21(27-23(25)28-22)19-7-4-8-20(24)16(19)3;1-14-18(6-3-7-19(14)22)20-13-16(25-21(23)26-20)5-4-12-24-15-8-10-17(11-9-15)28(2)27;1-10-12(5-2-6-14(10)21)15-8-11(29-18(26)30-15)4-3-7-27-19-28-9-13(17(25)32)16(31-19)20(22,23)24;1-11-14(3-2-4-15(11)21)17-10-18(27-20(24)26-17)25-8-7-12-5-6-13(19(23)28)9-16(12)22;1-9-10(4-2-5-11(9)18)12-8-14(26-15(19)23-12)22-7-3-6-13-24-16(20)27-17(21)25-13/h5,8-11,13-14H,6-7,12H2,1-4H3,(H,29,32)(H3,26,27,30,31);4,7-12,14-15H,5-6,13H2,1-3H3,(H3,25,26,27,28);3,6-11,13,24H,4-5,12H2,1-2H3,(H2,23,25,26);2,5-6,8-9H,3-4,7H2,1H3,(H2,25,32)(H2,26,29,30)(H,27,28,31);2-6,9-10H,7-8H2,1H3,(H2,23,28)(H3,24,25,26,27);2,4-5,8H,3,6-7H2,1H3,(H3,19,22,23,26)(H4,20,21,24,25,27)
InChIKeyVQULYBLPPUICTG-UHFFFAOYSA-N
XLogP24.16
TPSA688.08 Ų
H-Bond Donors17
H-Bond Acceptors39
Rotatable Bonds41
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002594.55
LogP ≤ 524.16
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

1-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]-3-tert-butylurea;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-fluorophenyl)sulfonylpropyl]pyrimidine-2,4-diamine;2,2-dimethylpropyl N-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]carbamate
CID 157062412
azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;2-fluoro-4-methyl-N-[2-methyl-5-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
CID 158330789
N-[4-(5-acetyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-[(2-fluorophenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;N-[4-[6-methyl-5-(2-oxopropyl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 159572626
2-chloro-4-[(dimethylamino)methyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-ethylsulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[(pyrimidin-2-ylamino)methyl]benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide
CID 160600291
N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2-fluoro-4-methylbenzenesulfonamide;2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;2-fluoro-4-methyl-N-[2-methyl-5-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 161576437
N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine;N-[2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]-2-fluoro-4-methylbenzenesulfonamide;bis(2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide);N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 157063519
N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-phenylpyrimidine-5-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-methylsulfonylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 157341551
N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methane
CID 158181315
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide
CID 158718984
4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-2-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carboxamide;2-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]pyrimidine-4-carboxamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-fluoro-4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine
CID 159846445
azetidin-1-yl-[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]methanone;azetidin-1-yl-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]methanone;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
CID 159965763
4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]azetidin-1-yl]benzenesulfonamide;4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]benzenesulfonamide;tert-butyl N-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]carbamate;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine
CID 160511408

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine (CID 161373706) is 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine is Cc1c(Cl)cccc1-c1cc(CCCNc2ccc(S(C)=O)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCNc2ncc(C(N)=O)c(C(F)(F)F)n2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCc2ccc(NC(=O)OC(C)(C)C)cn2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCc2ccc(S(=O)(=O)C(C)C)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCc2nc(N)nc(N)n2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccc(C(N)=O)cc2F)nc(N)n1.
What is the InChIKey of 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine?
The InChIKey is VQULYBLPPUICTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN6O2.C23H27ClN4O2S.C21H23ClN4OS.C20H19ClF3N7O.C20H19ClFN5O.C17H20ClN9/c1-15-18(8-5-9-19(15)25)20-13-21(31-22(26)30-20)27-12-6-7-16-10-11-17(14-28-16)29-23(32)33-24(2,3)4;1-15(2)31(29,30)18-11-9-17(10-12-18)6-5-13-26-22-14-21(27-23(25)28-22)19-7-4-8-20(24)16(19)3;1-14-18(6-3-7-19(14)22)20-13-16(25-21(23)26-20)5-4-12-24-15-8-10-17(11-9-15)28(2)27;1-10-12(5-2-6-14(10)21)15-8-11(29-18(26)30-15)4-3-7-27-19-28-9-13(17(25)32)16(31-19)20(22,23)24;1-11-14(3-2-4-15(11)21)17-10-18(27-20(24)26-17)25-8-7-12-5-6-13(19(23)28)9-16(12)22;1-9-10(4-2-5-11(9)18)12-8-14(26-15(19)23-12)22-7-3-6-13-24-16(20)27-17(21)25-13/h5,8-11,13-14H,6-7,12H2,1-4H3,(H,29,32)(H3,26,27,30,31);4,7-12,14-15H,5-6,13H2,1-3H3,(H3,25,26,27,28);3,6-11,13,24H,4-5,12H2,1-2H3,(H2,23,25,26);2,5-6,8-9H,3-4,7H2,1H3,(H2,25,32)(H2,26,29,30)(H,27,28,31);2-6,9-10H,7-8H2,1H3,(H2,23,28)(H3,24,25,26,27);2,4-5,8H,3,6-7H2,1H3,(H3,19,22,23,26)(H4,20,21,24,25,27).
What are the key properties of 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine?
4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine has a molecular weight of 2594.55 g/mol, XLogP of 24.16, 41 rotatable bonds, 17 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 161373706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).