2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylacetic acid;1-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylbutan-2-one;2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylethanol;6-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;bis(6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-5-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine

C190H186FN63O13S9 — CID 158380190

IUPAC2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylacetic acid;1-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylbutan-2-one;2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylethanol;6-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;bis(6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-5-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine
SMILESCCC(=O)CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)n1.CCc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)nc(SC)n4)cc3)n2)c1.CNc1cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)nc(SC)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cc(C)cc(C)c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cc(C)cc(C)c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cc(C)ccc4F)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4ccc(C)c(C)c4)n[nH]3)cc2)n1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)nc(SCC(=O)O)n4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)nc(SCCO)n4)cc3)n2)c1
InChIInChI=1S/C23H23N7O2S.C21H19N7O3S.C21H21N7O2S.5C21H21N7OS.C20H18FN7OS/c1-3-17(31)13-33-23-26-19(24)12-20(27-23)32-18-9-7-15(8-10-18)21-28-22(30-29-21)25-16-6-4-5-14(2)11-16;1-12-3-2-4-14(9-12)23-20-26-19(27-28-20)13-5-7-15(8-6-13)31-17-10-16(22)24-21(25-17)32-11-18(29)30;1-13-3-2-4-15(11-13)23-20-26-19(27-28-20)14-5-7-16(8-6-14)30-18-12-17(22)24-21(25-18)31-10-9-29;1-12-4-7-15(10-13(12)2)23-20-26-19(27-28-20)14-5-8-16(9-6-14)29-18-11-17(22)24-21(25-18)30-3;2*1-12-8-13(2)10-15(9-12)23-20-26-19(27-28-20)14-4-6-16(7-5-14)29-18-11-17(22)24-21(25-18)30-3;1-13-5-4-6-15(11-13)23-20-26-19(27-28-20)14-7-9-16(10-8-14)29-18-12-17(22-2)24-21(25-18)30-3;1-3-13-5-4-6-15(11-13)23-20-26-19(27-28-20)14-7-9-16(10-8-14)29-18-12-17(22)24-21(25-18)30-2;1-11-3-8-14(21)15(9-11)23-19-26-18(27-28-19)12-4-6-13(7-5-12)29-17-10-16(22)24-20(25-17)30-2/h4-12H,3,13H2,1-2H3,(H2,24,26,27)(H2,25,28,29,30);2-10H,11H2,1H3,(H,29,30)(H2,22,24,25)(H2,23,26,27,28);2-8,11-12,29H,9-10H2,1H3,(H2,22,24,25)(H2,23,26,27,28);3*4-11H,1-3H3,(H2,22,24,25)(H2,23,26,27,28);4-12H,1-3H3,(H,22,24,25)(H2,23,26,27,28);4-12H,3H2,1-2H3,(H2,22,24,25)(H2,23,26,27,28);3-10H,1-2H3,(H2,22,24,25)(H2,23,26,27,28)
InChIKeyGVRRSBSPQSHJII-UHFFFAOYSA-N
MW3867.61 g/mol
LogP40.64
Rot. Bonds63

About 2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylacetic acid;1-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylbutan-2-one;2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylethanol;6-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;bis(6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-5-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine

2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylacetic acid;1-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylbutan-2-one;2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylethanol;6-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;bis(6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-5-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine (PubChem CID 158380190) has the molecular formula C190H186FN63O13S9 and a molecular weight of 3867.61 g/mol. Its IUPAC name is 2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylacetic acid;1-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylbutan-2-one;2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylethanol;6-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;bis(6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-5-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylacetic acid;1-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylbutan-2-one;2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylethanol;6-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;bis(6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-5-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine
PubChem CID158380190
Molecular FormulaC190H186FN63O13S9
Molecular Weight3867.61 g/mol
Exact Mass3864.33
IUPAC Name2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylacetic acid;1-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylbutan-2-one;2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylethanol;6-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;bis(6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-5-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine
SMILESCCC(=O)CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)n1.CCc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)nc(SC)n4)cc3)n2)c1.CNc1cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)nc(SC)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cc(C)cc(C)c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cc(C)cc(C)c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cc(C)ccc4F)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4ccc(C)c(C)c4)n[nH]3)cc2)n1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)nc(SCC(=O)O)n4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)nc(SCCO)n4)cc3)n2)c1
InChIInChI=1S/C23H23N7O2S.C21H19N7O3S.C21H21N7O2S.5C21H21N7OS.C20H18FN7OS/c1-3-17(31)13-33-23-26-19(24)12-20(27-23)32-18-9-7-15(8-10-18)21-28-22(30-29-21)25-16-6-4-5-14(2)11-16;1-12-3-2-4-14(9-12)23-20-26-19(27-28-20)13-5-7-15(8-6-13)31-17-10-16(22)24-21(25-17)32-11-18(29)30;1-13-3-2-4-15(11-13)23-20-26-19(27-28-20)14-5-7-16(8-6-14)30-18-12-17(22)24-21(25-18)31-10-9-29;1-12-4-7-15(10-13(12)2)23-20-26-19(27-28-20)14-5-8-16(9-6-14)29-18-11-17(22)24-21(25-18)30-3;2*1-12-8-13(2)10-15(9-12)23-20-26-19(27-28-20)14-4-6-16(7-5-14)29-18-11-17(22)24-21(25-18)30-3;1-13-5-4-6-15(11-13)23-20-26-19(27-28-20)14-7-9-16(10-8-14)29-18-12-17(22-2)24-21(25-18)30-3;1-3-13-5-4-6-15(11-13)23-20-26-19(27-28-20)14-7-9-16(10-8-14)29-18-12-17(22)24-21(25-18)30-2;1-11-3-8-14(21)15(9-11)23-19-26-18(27-28-19)12-4-6-13(7-5-12)29-17-10-16(22)24-20(25-17)30-2/h4-12H,3,13H2,1-2H3,(H2,24,26,27)(H2,25,28,29,30);2-10H,11H2,1H3,(H,29,30)(H2,22,24,25)(H2,23,26,27,28);2-8,11-12,29H,9-10H2,1H3,(H2,22,24,25)(H2,23,26,27,28);3*4-11H,1-3H3,(H2,22,24,25)(H2,23,26,27,28);4-12H,1-3H3,(H,22,24,25)(H2,23,26,27,28);4-12H,3H2,1-2H3,(H2,22,24,25)(H2,23,26,27,28);3-10H,1-2H3,(H2,22,24,25)(H2,23,26,27,28)
InChIKeyGVRRSBSPQSHJII-UHFFFAOYSA-N
XLogP40.64
TPSA1092.28 Ų
H-Bond Donors29
H-Bond Acceptors75
Rotatable Bonds63
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003867.61
LogP ≤ 540.64
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1075

Analyze 2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylacetic acid;1-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylbutan-2-one;2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylethanol;6-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;bis(6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-5-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine with MolForge

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Related Compounds

6-[4-[3-(3-tert-butylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;bis(6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);6-[4-[3-(4-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine
CID 157250214
1-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylbutan-2-one;6-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;bis(6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-5-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine
CID 157555512
CID 157657302
CID 157657302
6-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-5-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;methane
CID 157853286
CID 158318564
CID 158318564
CID 158451967
CID 158451967
6-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;bis(6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-5-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;methane;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(4-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine
CID 158475447
2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylacetic acid;2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylethanol;3-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylpropyl methanimidate;6-[3-chloro-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[2,6-dimethyl-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[3-fluoro-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-[2-(2-methoxyethoxy)ethylsulfanyl]-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[2-methoxy-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine
CID 158628118
4-tert-butylsulfanyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(2-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-methoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(2-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methylsulfanyl-6-[4-[3-(3-propan-2-yloxyanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine
CID 158732755
6-[4-[3-(3-tert-butylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;bis(6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);6-[4-[3-(4-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methylsulfanyl-6-[4-[3-(3-propan-2-yloxyanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine
CID 159245303
CID 159614894
CID 159614894
2-tert-butylsulfanyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-(cyclopropylmethoxy)-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[2-methyl-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine
CID 159889325

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylacetic acid;1-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylbutan-2-one;2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylethanol;6-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;bis(6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-5-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylacetic acid;1-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylbutan-2-one;2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylethanol;6-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;bis(6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-5-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine (CID 158380190) is 2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylacetic acid;1-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylbutan-2-one;2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylethanol;6-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;bis(6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-5-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylacetic acid;1-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylbutan-2-one;2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylethanol;6-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;bis(6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-5-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylacetic acid;1-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylbutan-2-one;2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylethanol;6-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;bis(6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-5-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine is CCC(=O)CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)n1.CCc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)nc(SC)n4)cc3)n2)c1.CNc1cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)nc(SC)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cc(C)cc(C)c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cc(C)cc(C)c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cc(C)ccc4F)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4ccc(C)c(C)c4)n[nH]3)cc2)n1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)nc(SCC(=O)O)n4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)nc(SCCO)n4)cc3)n2)c1.
What is the InChIKey of 2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylacetic acid;1-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylbutan-2-one;2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylethanol;6-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;bis(6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-5-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is GVRRSBSPQSHJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2S.C21H19N7O3S.C21H21N7O2S.5C21H21N7OS.C20H18FN7OS/c1-3-17(31)13-33-23-26-19(24)12-20(27-23)32-18-9-7-15(8-10-18)21-28-22(30-29-21)25-16-6-4-5-14(2)11-16;1-12-3-2-4-14(9-12)23-20-26-19(27-28-20)13-5-7-15(8-6-13)31-17-10-16(22)24-21(25-17)32-11-18(29)30;1-13-3-2-4-15(11-13)23-20-26-19(27-28-20)14-5-7-16(8-6-14)30-18-12-17(22)24-21(25-18)31-10-9-29;1-12-4-7-15(10-13(12)2)23-20-26-19(27-28-20)14-5-8-16(9-6-14)29-18-11-17(22)24-21(25-18)30-3;2*1-12-8-13(2)10-15(9-12)23-20-26-19(27-28-20)14-4-6-16(7-5-14)29-18-11-17(22)24-21(25-18)30-3;1-13-5-4-6-15(11-13)23-20-26-19(27-28-20)14-7-9-16(10-8-14)29-18-12-17(22-2)24-21(25-18)30-3;1-3-13-5-4-6-15(11-13)23-20-26-19(27-28-20)14-7-9-16(10-8-14)29-18-12-17(22)24-21(25-18)30-2;1-11-3-8-14(21)15(9-11)23-19-26-18(27-28-19)12-4-6-13(7-5-12)29-17-10-16(22)24-20(25-17)30-2/h4-12H,3,13H2,1-2H3,(H2,24,26,27)(H2,25,28,29,30);2-10H,11H2,1H3,(H,29,30)(H2,22,24,25)(H2,23,26,27,28);2-8,11-12,29H,9-10H2,1H3,(H2,22,24,25)(H2,23,26,27,28);3*4-11H,1-3H3,(H2,22,24,25)(H2,23,26,27,28);4-12H,1-3H3,(H,22,24,25)(H2,23,26,27,28);4-12H,3H2,1-2H3,(H2,22,24,25)(H2,23,26,27,28);3-10H,1-2H3,(H2,22,24,25)(H2,23,26,27,28).
What are the key properties of 2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylacetic acid;1-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylbutan-2-one;2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylethanol;6-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;bis(6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-5-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine?
2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylacetic acid;1-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylbutan-2-one;2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylethanol;6-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;bis(6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-5-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 3867.61 g/mol, XLogP of 40.64, 63 rotatable bonds, 29 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylacetic acid;1-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylbutan-2-one;2-[4-amino-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-yl]sulfanylethanol;6-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;bis(6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-5-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 158380190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).