N-[5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-yl]-5-tert-butyl-1,2-oxazol-3-amine;6-[4-[3-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(3-tert-butyl-1-quinolin-7-ylpyrazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(cyclohexylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(9H-fluoren-3-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methylsulfanyl-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine

C186H190N64O9S8 — CID 159781319

IUPACN-[5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-yl]-5-tert-butyl-1,2-oxazol-3-amine;6-[4-[3-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(3-tert-butyl-1-quinolin-7-ylpyrazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(cyclohexylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(9H-fluoren-3-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methylsulfanyl-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine
SMILESCSc1nc(N)cc(Oc2ccc(-c3nc(NC4CCCCC4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cc(C(C)(C)C)[nH]n4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cc(C(C)(C)C)nn4-c4ccc5cccnc5c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cc(C(C)(C)C)nn4-c4cccc(C)c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cc(C(C)(C)C)on4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4ccc5c(c4)-c4ccccc4C5)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4ccc5c(c4)CCC5)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc5c4CCCC5)n[nH]3)cc2)n1
InChIInChI=1S/C29H28N10OS.C27H29N9OS.C26H21N7OS.C23H23N7OS.C22H21N7OS.C20H23N9OS.C20H22N8O2S.C19H23N7OS/c1-29(2,3)22-15-24(39(38-22)19-10-7-17-6-5-13-31-21(17)14-19)33-27-35-26(36-37-27)18-8-11-20(12-9-18)40-25-16-23(30)32-28(34-25)41-4;1-16-7-6-8-18(13-16)36-22(14-20(35-36)27(2,3)4)30-25-32-24(33-34-25)17-9-11-19(12-10-17)37-23-15-21(28)29-26(31-23)38-5;1-35-26-29-22(27)14-23(30-26)34-19-10-7-15(8-11-19)24-31-25(33-32-24)28-18-9-6-17-12-16-4-2-3-5-20(16)21(17)13-18;1-32-23-26-19(24)13-20(27-23)31-16-11-9-15(10-12-16)21-28-22(30-29-21)25-18-8-4-6-14-5-2-3-7-17(14)18;1-31-22-25-18(23)12-19(26-22)30-17-9-6-14(7-10-17)20-27-21(29-28-20)24-16-8-5-13-3-2-4-15(13)11-16;1-20(2,3)13-9-15(27-26-13)23-18-25-17(28-29-18)11-5-7-12(8-6-11)30-16-10-14(21)22-19(24-16)31-4;1-20(2,3)13-9-15(28-30-13)23-18-25-17(26-27-18)11-5-7-12(8-6-11)29-16-10-14(21)22-19(24-16)31-4;1-28-19-22-15(20)11-16(23-19)27-14-9-7-12(8-10-14)17-24-18(26-25-17)21-13-5-3-2-4-6-13/h5-16H,1-4H3,(H2,30,32,34)(H2,33,35,36,37);6-15H,1-5H3,(H2,28,29,31)(H2,30,32,33,34);2-11,13-14H,12H2,1H3,(H2,27,29,30)(H2,28,31,32,33);4,6,8-13H,2-3,5,7H2,1H3,(H2,24,26,27)(H2,25,28,29,30);5-12H,2-4H2,1H3,(H2,23,25,26)(H2,24,27,28,29);5-10H,1-4H3,(H2,21,22,24)(H3,23,25,26,27,28,29);5-10H,1-4H3,(H2,21,22,24)(H2,23,25,26,27,28);7-11,13H,2-6H2,1H3,(H2,20,22,23)(H2,21,24,25,26)
InChIKeyNHJWGNCFWVIISZ-UHFFFAOYSA-N
MW3722.54 g/mol
LogP39.88
Rot. Bonds50

About N-[5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-yl]-5-tert-butyl-1,2-oxazol-3-amine;6-[4-[3-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(3-tert-butyl-1-quinolin-7-ylpyrazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(cyclohexylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(9H-fluoren-3-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methylsulfanyl-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine

N-[5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-yl]-5-tert-butyl-1,2-oxazol-3-amine;6-[4-[3-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(3-tert-butyl-1-quinolin-7-ylpyrazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(cyclohexylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(9H-fluoren-3-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methylsulfanyl-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine (PubChem CID 159781319) has the molecular formula C186H190N64O9S8 and a molecular weight of 3722.54 g/mol. Its IUPAC name is N-[5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-yl]-5-tert-butyl-1,2-oxazol-3-amine;6-[4-[3-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(3-tert-butyl-1-quinolin-7-ylpyrazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(cyclohexylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(9H-fluoren-3-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methylsulfanyl-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-yl]-5-tert-butyl-1,2-oxazol-3-amine;6-[4-[3-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(3-tert-butyl-1-quinolin-7-ylpyrazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(cyclohexylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(9H-fluoren-3-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methylsulfanyl-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine
PubChem CID159781319
Molecular FormulaC186H190N64O9S8
Molecular Weight3722.54 g/mol
Exact Mass3719.41
IUPAC NameN-[5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-yl]-5-tert-butyl-1,2-oxazol-3-amine;6-[4-[3-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(3-tert-butyl-1-quinolin-7-ylpyrazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(cyclohexylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(9H-fluoren-3-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methylsulfanyl-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine
SMILESCSc1nc(N)cc(Oc2ccc(-c3nc(NC4CCCCC4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cc(C(C)(C)C)[nH]n4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cc(C(C)(C)C)nn4-c4ccc5cccnc5c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cc(C(C)(C)C)nn4-c4cccc(C)c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cc(C(C)(C)C)on4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4ccc5c(c4)-c4ccccc4C5)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4ccc5c(c4)CCC5)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc5c4CCCC5)n[nH]3)cc2)n1
InChIInChI=1S/C29H28N10OS.C27H29N9OS.C26H21N7OS.C23H23N7OS.C22H21N7OS.C20H23N9OS.C20H22N8O2S.C19H23N7OS/c1-29(2,3)22-15-24(39(38-22)19-10-7-17-6-5-13-31-21(17)14-19)33-27-35-26(36-37-27)18-8-11-20(12-9-18)40-25-16-23(30)32-28(34-25)41-4;1-16-7-6-8-18(13-16)36-22(14-20(35-36)27(2,3)4)30-25-32-24(33-34-25)17-9-11-19(12-10-17)37-23-15-21(28)29-26(31-23)38-5;1-35-26-29-22(27)14-23(30-26)34-19-10-7-15(8-11-19)24-31-25(33-32-24)28-18-9-6-17-12-16-4-2-3-5-20(16)21(17)13-18;1-32-23-26-19(24)13-20(27-23)31-16-11-9-15(10-12-16)21-28-22(30-29-21)25-18-8-4-6-14-5-2-3-7-17(14)18;1-31-22-25-18(23)12-19(26-22)30-17-9-6-14(7-10-17)20-27-21(29-28-20)24-16-8-5-13-3-2-4-15(13)11-16;1-20(2,3)13-9-15(27-26-13)23-18-25-17(28-29-18)11-5-7-12(8-6-11)30-16-10-14(21)22-19(24-16)31-4;1-20(2,3)13-9-15(28-30-13)23-18-25-17(26-27-18)11-5-7-12(8-6-11)29-16-10-14(21)22-19(24-16)31-4;1-28-19-22-15(20)11-16(23-19)27-14-9-7-12(8-10-14)17-24-18(26-25-17)21-13-5-3-2-4-6-13/h5-16H,1-4H3,(H2,30,32,34)(H2,33,35,36,37);6-15H,1-5H3,(H2,28,29,31)(H2,30,32,33,34);2-11,13-14H,12H2,1H3,(H2,27,29,30)(H2,28,31,32,33);4,6,8-13H,2-3,5,7H2,1H3,(H2,24,26,27)(H2,25,28,29,30);5-12H,2-4H2,1H3,(H2,23,25,26)(H2,24,27,28,29);5-10H,1-4H3,(H2,21,22,24)(H3,23,25,26,27,28,29);5-10H,1-4H3,(H2,21,22,24)(H2,23,25,26,27,28);7-11,13H,2-6H2,1H3,(H2,20,22,23)(H2,21,24,25,26)
InChIKeyNHJWGNCFWVIISZ-UHFFFAOYSA-N
XLogP39.88
TPSA1020.28 Ų
H-Bond Donors25
H-Bond Acceptors72
Rotatable Bonds50
Heavy Atoms267
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003722.54
LogP ≤ 539.88
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1072

Analyze N-[5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-yl]-5-tert-butyl-1,2-oxazol-3-amine;6-[4-[3-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(3-tert-butyl-1-quinolin-7-ylpyrazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(cyclohexylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(9H-fluoren-3-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methylsulfanyl-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-yl]-5-tert-butyl-1,2-oxazol-3-amine;6-[4-[3-[[5-tert-butyl-2-(3-methylphenyl)-1H-pyrazol-2-ium-3-yl]amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(3-tert-butyl-1-quinolin-7-ylpyrazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(cyclohexylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(9H-fluoren-3-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methylsulfanyl-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine
CID 157562120
N-[5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-yl]-5-tert-butyl-1,2-oxazol-3-amine;6-[4-[3-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(cyclohexylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[5-(2,3-dihydro-1H-inden-5-ylmethyl)-1H-1,2,4-triazol-3-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(9H-fluoren-3-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methylsulfanyl-6-[4-[5-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)-1H-1,2,4-triazol-3-yl]phenoxy]pyrimidin-4-amine
CID 157809586
N-[5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-yl]-5-tert-butyl-1,2-oxazol-3-amine;6-[4-[3-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(9H-fluoren-3-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methylsulfanyl-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine
CID 157813728
N-[5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-yl]-5-tert-butyl-1,2-oxazol-3-amine;6-[4-[3-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(cyclohexylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(9H-fluoren-3-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methylsulfanyl-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine
CID 158254930
6-[5-[[5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-4H-1,2,4-triazol-3-yl]amino]-3-tert-butylpyrazol-1-yl]-1H-quinolin-2-one;6-[4-[3-[[3-tert-butyl-1-(1H-indol-5-yl)pyrazol-5-yl]amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(3-tert-butyl-1-quinolin-7-ylpyrazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(cyclohexylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine
CID 159330184
6-[5-[[5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-4H-1,2,4-triazol-3-yl]amino]-3-tert-butylpyrazol-1-yl]-1H-quinolin-2-one;6-[4-[3-[[3-tert-butyl-1-(1H-indol-5-yl)pyrazol-5-yl]amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(3-tert-butyl-1-quinolin-7-ylpyrazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine
CID 160247614

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-yl]-5-tert-butyl-1,2-oxazol-3-amine;6-[4-[3-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(3-tert-butyl-1-quinolin-7-ylpyrazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(cyclohexylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(9H-fluoren-3-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methylsulfanyl-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?
The IUPAC name of N-[5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-yl]-5-tert-butyl-1,2-oxazol-3-amine;6-[4-[3-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(3-tert-butyl-1-quinolin-7-ylpyrazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(cyclohexylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(9H-fluoren-3-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methylsulfanyl-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine (CID 159781319) is N-[5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-yl]-5-tert-butyl-1,2-oxazol-3-amine;6-[4-[3-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(3-tert-butyl-1-quinolin-7-ylpyrazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(cyclohexylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(9H-fluoren-3-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methylsulfanyl-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine.
What is the SMILES notation for N-[5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-yl]-5-tert-butyl-1,2-oxazol-3-amine;6-[4-[3-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(3-tert-butyl-1-quinolin-7-ylpyrazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(cyclohexylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(9H-fluoren-3-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methylsulfanyl-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?
The canonical SMILES for N-[5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-yl]-5-tert-butyl-1,2-oxazol-3-amine;6-[4-[3-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(3-tert-butyl-1-quinolin-7-ylpyrazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(cyclohexylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(9H-fluoren-3-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methylsulfanyl-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine is CSc1nc(N)cc(Oc2ccc(-c3nc(NC4CCCCC4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cc(C(C)(C)C)[nH]n4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cc(C(C)(C)C)nn4-c4ccc5cccnc5c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cc(C(C)(C)C)nn4-c4cccc(C)c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cc(C(C)(C)C)on4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4ccc5c(c4)-c4ccccc4C5)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4ccc5c(c4)CCC5)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc5c4CCCC5)n[nH]3)cc2)n1.
What is the InChIKey of N-[5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-yl]-5-tert-butyl-1,2-oxazol-3-amine;6-[4-[3-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(3-tert-butyl-1-quinolin-7-ylpyrazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(cyclohexylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(9H-fluoren-3-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methylsulfanyl-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?
The InChIKey is NHJWGNCFWVIISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N10OS.C27H29N9OS.C26H21N7OS.C23H23N7OS.C22H21N7OS.C20H23N9OS.C20H22N8O2S.C19H23N7OS/c1-29(2,3)22-15-24(39(38-22)19-10-7-17-6-5-13-31-21(17)14-19)33-27-35-26(36-37-27)18-8-11-20(12-9-18)40-25-16-23(30)32-28(34-25)41-4;1-16-7-6-8-18(13-16)36-22(14-20(35-36)27(2,3)4)30-25-32-24(33-34-25)17-9-11-19(12-10-17)37-23-15-21(28)29-26(31-23)38-5;1-35-26-29-22(27)14-23(30-26)34-19-10-7-15(8-11-19)24-31-25(33-32-24)28-18-9-6-17-12-16-4-2-3-5-20(16)21(17)13-18;1-32-23-26-19(24)13-20(27-23)31-16-11-9-15(10-12-16)21-28-22(30-29-21)25-18-8-4-6-14-5-2-3-7-17(14)18;1-31-22-25-18(23)12-19(26-22)30-17-9-6-14(7-10-17)20-27-21(29-28-20)24-16-8-5-13-3-2-4-15(13)11-16;1-20(2,3)13-9-15(27-26-13)23-18-25-17(28-29-18)11-5-7-12(8-6-11)30-16-10-14(21)22-19(24-16)31-4;1-20(2,3)13-9-15(28-30-13)23-18-25-17(26-27-18)11-5-7-12(8-6-11)29-16-10-14(21)22-19(24-16)31-4;1-28-19-22-15(20)11-16(23-19)27-14-9-7-12(8-10-14)17-24-18(26-25-17)21-13-5-3-2-4-6-13/h5-16H,1-4H3,(H2,30,32,34)(H2,33,35,36,37);6-15H,1-5H3,(H2,28,29,31)(H2,30,32,33,34);2-11,13-14H,12H2,1H3,(H2,27,29,30)(H2,28,31,32,33);4,6,8-13H,2-3,5,7H2,1H3,(H2,24,26,27)(H2,25,28,29,30);5-12H,2-4H2,1H3,(H2,23,25,26)(H2,24,27,28,29);5-10H,1-4H3,(H2,21,22,24)(H3,23,25,26,27,28,29);5-10H,1-4H3,(H2,21,22,24)(H2,23,25,26,27,28);7-11,13H,2-6H2,1H3,(H2,20,22,23)(H2,21,24,25,26).
What are the key properties of N-[5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-yl]-5-tert-butyl-1,2-oxazol-3-amine;6-[4-[3-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(3-tert-butyl-1-quinolin-7-ylpyrazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(cyclohexylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(9H-fluoren-3-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methylsulfanyl-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?
N-[5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-yl]-5-tert-butyl-1,2-oxazol-3-amine;6-[4-[3-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(3-tert-butyl-1-quinolin-7-ylpyrazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(cyclohexylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(9H-fluoren-3-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methylsulfanyl-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine has a molecular weight of 3722.54 g/mol, XLogP of 39.88, 50 rotatable bonds, 25 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-yl]-5-tert-butyl-1,2-oxazol-3-amine;6-[4-[3-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-[(3-tert-butyl-1-quinolin-7-ylpyrazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(cyclohexylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(9H-fluoren-3-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methylsulfanyl-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine is sourced from PubChem (CID 159781319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).