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;6-[4-[3-(4-fluoro-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

C150H149ClF2N50O11S7 — CID 157251728

IUPAC3-[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;6-[4-[3-(4-fluoro-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
SMILESCOCCOCCSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)n1.COc1cc(-c2nc(Nc3cccc(C)c3)n[nH]2)ccc1Oc1cc(N)nc(SC)n1.CSc1nc(N)cc(Oc2c(C)cc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2C)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4ccc(F)c(C)c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c(Cl)c2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c(F)c2)n1.[H]/N=C/OCCCSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)n1
InChIInChI=1S/C24H27N7O3S.C23H24N8O2S.C22H23N7OS.C21H21N7O2S.C20H18ClN7OS.2C20H18FN7OS/c1-16-4-3-5-18(14-16)26-23-29-22(30-31-23)17-6-8-19(9-7-17)34-21-15-20(25)27-24(28-21)35-13-12-33-11-10-32-2;1-15-4-2-5-17(12-15)26-22-29-21(30-31-22)16-6-8-18(9-7-16)33-20-13-19(25)27-23(28-20)34-11-3-10-32-14-24;1-12-6-5-7-16(8-12)24-21-27-20(28-29-21)15-9-13(2)19(14(3)10-15)30-18-11-17(23)25-22(26-18)31-4;1-12-5-4-6-14(9-12)23-20-26-19(27-28-20)13-7-8-15(16(10-13)29-2)30-18-11-17(22)24-21(25-18)31-3;1-11-4-3-5-12(8-11)23-19-26-18(27-28-19)14-7-6-13(9-15(14)21)29-17-10-16(22)24-20(25-17)30-2;1-11-9-13(5-8-15(11)21)23-19-26-18(27-28-19)12-3-6-14(7-4-12)29-17-10-16(22)24-20(25-17)30-2;1-11-4-3-5-12(8-11)23-19-26-18(27-28-19)14-7-6-13(9-15(14)21)29-17-10-16(22)24-20(25-17)30-2/h3-9,14-15H,10-13H2,1-2H3,(H2,25,27,28)(H2,26,29,30,31);2,4-9,12-14,24H,3,10-11H2,1H3,(H2,25,27,28)(H2,26,29,30,31);5-11H,1-4H3,(H2,23,25,26)(H2,24,27,28,29);4-11H,1-3H3,(H2,22,24,25)(H2,23,26,27,28);3*3-10H,1-2H3,(H2,22,24,25)(H2,23,26,27,28)/b;24-14+;;;;;
InChIKeyAWKPRRRBAJJDNH-CIHLCMEFSA-N
MW3126.10 g/mol
LogP32.85
Rot. Bonds54

About 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;6-[4-[3-(4-fluoro-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

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;6-[4-[3-(4-fluoro-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 (PubChem CID 157251728) has the molecular formula C150H149ClF2N50O11S7 and a molecular weight of 3126.10 g/mol. Its IUPAC name is 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;6-[4-[3-(4-fluoro-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.

Molecular Properties

Compound Name3-[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;6-[4-[3-(4-fluoro-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
PubChem CID157251728
Molecular FormulaC150H149ClF2N50O11S7
Molecular Weight3126.10 g/mol
Exact Mass3123.03
IUPAC Name3-[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;6-[4-[3-(4-fluoro-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
SMILESCOCCOCCSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)n1.COc1cc(-c2nc(Nc3cccc(C)c3)n[nH]2)ccc1Oc1cc(N)nc(SC)n1.CSc1nc(N)cc(Oc2c(C)cc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2C)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4ccc(F)c(C)c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c(Cl)c2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c(F)c2)n1.[H]/N=C/OCCCSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)n1
InChIInChI=1S/C24H27N7O3S.C23H24N8O2S.C22H23N7OS.C21H21N7O2S.C20H18ClN7OS.2C20H18FN7OS/c1-16-4-3-5-18(14-16)26-23-29-22(30-31-23)17-6-8-19(9-7-17)34-21-15-20(25)27-24(28-21)35-13-12-33-11-10-32-2;1-15-4-2-5-17(12-15)26-22-29-21(30-31-22)16-6-8-18(9-7-16)33-20-13-19(25)27-23(28-20)34-11-3-10-32-14-24;1-12-6-5-7-16(8-12)24-21-27-20(28-29-21)15-9-13(2)19(14(3)10-15)30-18-11-17(23)25-22(26-18)31-4;1-12-5-4-6-14(9-12)23-20-26-19(27-28-20)13-7-8-15(16(10-13)29-2)30-18-11-17(22)24-21(25-18)31-3;1-11-4-3-5-12(8-11)23-19-26-18(27-28-19)14-7-6-13(9-15(14)21)29-17-10-16(22)24-20(25-17)30-2;1-11-9-13(5-8-15(11)21)23-19-26-18(27-28-19)12-3-6-14(7-4-12)29-17-10-16(22)24-20(25-17)30-2;1-11-4-3-5-12(8-11)23-19-26-18(27-28-19)14-7-6-13(9-15(14)21)29-17-10-16(22)24-20(25-17)30-2/h3-9,14-15H,10-13H2,1-2H3,(H2,25,27,28)(H2,26,29,30,31);2,4-9,12-14,24H,3,10-11H2,1H3,(H2,25,27,28)(H2,26,29,30,31);5-11H,1-4H3,(H2,23,25,26)(H2,24,27,28,29);4-11H,1-3H3,(H2,22,24,25)(H2,23,26,27,28);3*3-10H,1-2H3,(H2,22,24,25)(H2,23,26,27,28)/b;24-14+;;;;;
InChIKeyAWKPRRRBAJJDNH-CIHLCMEFSA-N
XLogP32.85
TPSA863.18 Ų
H-Bond Donors22
H-Bond Acceptors61
Rotatable Bonds54
Heavy Atoms221
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003126.10
LogP ≤ 532.85
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1061

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 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;6-[4-[3-(4-fluoro-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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;6-[4-[3-(4-fluoro-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?
The IUPAC name of 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;6-[4-[3-(4-fluoro-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 157251728) is 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;6-[4-[3-(4-fluoro-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.
What is the SMILES notation for 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;6-[4-[3-(4-fluoro-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?
The canonical SMILES for 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;6-[4-[3-(4-fluoro-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 is COCCOCCSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)n1.COc1cc(-c2nc(Nc3cccc(C)c3)n[nH]2)ccc1Oc1cc(N)nc(SC)n1.CSc1nc(N)cc(Oc2c(C)cc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2C)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4ccc(F)c(C)c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c(Cl)c2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c(F)c2)n1.[H]/N=C/OCCCSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)n1.
What is the InChIKey of 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;6-[4-[3-(4-fluoro-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?
The InChIKey is AWKPRRRBAJJDNH-CIHLCMEFSA-N. The full InChI is InChI=1S/C24H27N7O3S.C23H24N8O2S.C22H23N7OS.C21H21N7O2S.C20H18ClN7OS.2C20H18FN7OS/c1-16-4-3-5-18(14-16)26-23-29-22(30-31-23)17-6-8-19(9-7-17)34-21-15-20(25)27-24(28-21)35-13-12-33-11-10-32-2;1-15-4-2-5-17(12-15)26-22-29-21(30-31-22)16-6-8-18(9-7-16)33-20-13-19(25)27-23(28-20)34-11-3-10-32-14-24;1-12-6-5-7-16(8-12)24-21-27-20(28-29-21)15-9-13(2)19(14(3)10-15)30-18-11-17(23)25-22(26-18)31-4;1-12-5-4-6-14(9-12)23-20-26-19(27-28-20)13-7-8-15(16(10-13)29-2)30-18-11-17(22)24-21(25-18)31-3;1-11-4-3-5-12(8-11)23-19-26-18(27-28-19)14-7-6-13(9-15(14)21)29-17-10-16(22)24-20(25-17)30-2;1-11-9-13(5-8-15(11)21)23-19-26-18(27-28-19)12-3-6-14(7-4-12)29-17-10-16(22)24-20(25-17)30-2;1-11-4-3-5-12(8-11)23-19-26-18(27-28-19)14-7-6-13(9-15(14)21)29-17-10-16(22)24-20(25-17)30-2/h3-9,14-15H,10-13H2,1-2H3,(H2,25,27,28)(H2,26,29,30,31);2,4-9,12-14,24H,3,10-11H2,1H3,(H2,25,27,28)(H2,26,29,30,31);5-11H,1-4H3,(H2,23,25,26)(H2,24,27,28,29);4-11H,1-3H3,(H2,22,24,25)(H2,23,26,27,28);3*3-10H,1-2H3,(H2,22,24,25)(H2,23,26,27,28)/b;24-14+;;;;;.
What are the key properties of 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;6-[4-[3-(4-fluoro-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?
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;6-[4-[3-(4-fluoro-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 has a molecular weight of 3126.10 g/mol, XLogP of 32.85, 54 rotatable bonds, 22 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 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;6-[4-[3-(4-fluoro-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 is sourced from PubChem (CID 157251728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).