4-[4-(3-chloro-4-pyridinyl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyrimidin-5-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-thiophen-2-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-[4-(furan-3-yl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine

C132H121ClN24O6S — CID 158691830

IUPAC4-[4-(3-chloro-4-pyridinyl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyrimidin-5-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-thiophen-2-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-[4-(furan-3-yl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCc1ccc(Nc2nc(Oc3c(C)cc(-c4cccnc4)cc3C)c3c(ccn3C)n2)cc1.Cc1ccc(Nc2nc(Oc3c(C)cc(-c4cccs4)cc3C)c3c(ccn3C)n2)cc1.Cc1ccc(Nc2nc(Oc3c(C)cc(-c4ccncc4Cl)cc3C)c3c(ccn3C)n2)cc1.Cc1ccc(Nc2nc(Oc3c(C)cc(-c4ccoc4)cc3C)c3c(ccn3C)n2)cc1.Cc1ccc(Nc2nc(Oc3c(C)cc(-c4cncnc4)cc3C)c3c(ccn3C)n2)cc1
InChIInChI=1S/C27H24ClN5O.C27H25N5O.C26H24N6O.C26H24N4O2.C26H24N4OS/c1-16-5-7-20(8-6-16)30-27-31-23-10-12-33(4)24(23)26(32-27)34-25-17(2)13-19(14-18(25)3)21-9-11-29-15-22(21)28;1-17-7-9-22(10-8-17)29-27-30-23-11-13-32(4)24(23)26(31-27)33-25-18(2)14-21(15-19(25)3)20-6-5-12-28-16-20;1-16-5-7-21(8-6-16)29-26-30-22-9-10-32(4)23(22)25(31-26)33-24-17(2)11-19(12-18(24)3)20-13-27-15-28-14-20;1-16-5-7-21(8-6-16)27-26-28-22-9-11-30(4)23(22)25(29-26)32-24-17(2)13-20(14-18(24)3)19-10-12-31-15-19;1-16-7-9-20(10-8-16)27-26-28-21-11-12-30(4)23(21)25(29-26)31-24-17(2)14-19(15-18(24)3)22-6-5-13-32-22/h5-15H,1-4H3,(H,30,31,32);5-16H,1-4H3,(H,29,30,31);5-15H,1-4H3,(H,29,30,31);2*5-15H,1-4H3,(H,27,28,29)
InChIKeyIGLGCQUSXSVIED-UHFFFAOYSA-N
MW2207.10 g/mol
LogP33.37
Rot. Bonds25

About 4-[4-(3-chloro-4-pyridinyl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyrimidin-5-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-thiophen-2-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-[4-(furan-3-yl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine

4-[4-(3-chloro-4-pyridinyl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyrimidin-5-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-thiophen-2-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-[4-(furan-3-yl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 158691830) has the molecular formula C132H121ClN24O6S and a molecular weight of 2207.10 g/mol. Its IUPAC name is 4-[4-(3-chloro-4-pyridinyl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyrimidin-5-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-thiophen-2-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-[4-(furan-3-yl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(3-chloro-4-pyridinyl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyrimidin-5-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-thiophen-2-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-[4-(furan-3-yl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine
PubChem CID158691830
Molecular FormulaC132H121ClN24O6S
Molecular Weight2207.10 g/mol
Exact Mass2204.93
IUPAC Name4-[4-(3-chloro-4-pyridinyl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyrimidin-5-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-thiophen-2-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-[4-(furan-3-yl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCc1ccc(Nc2nc(Oc3c(C)cc(-c4cccnc4)cc3C)c3c(ccn3C)n2)cc1.Cc1ccc(Nc2nc(Oc3c(C)cc(-c4cccs4)cc3C)c3c(ccn3C)n2)cc1.Cc1ccc(Nc2nc(Oc3c(C)cc(-c4ccncc4Cl)cc3C)c3c(ccn3C)n2)cc1.Cc1ccc(Nc2nc(Oc3c(C)cc(-c4ccoc4)cc3C)c3c(ccn3C)n2)cc1.Cc1ccc(Nc2nc(Oc3c(C)cc(-c4cncnc4)cc3C)c3c(ccn3C)n2)cc1
InChIInChI=1S/C27H24ClN5O.C27H25N5O.C26H24N6O.C26H24N4O2.C26H24N4OS/c1-16-5-7-20(8-6-16)30-27-31-23-10-12-33(4)24(23)26(32-27)34-25-17(2)13-19(14-18(25)3)21-9-11-29-15-22(21)28;1-17-7-9-22(10-8-17)29-27-30-23-11-13-32(4)24(23)26(31-27)33-25-18(2)14-21(15-19(25)3)20-6-5-12-28-16-20;1-16-5-7-21(8-6-16)29-26-30-22-9-10-32(4)23(22)25(31-26)33-24-17(2)11-19(12-18(24)3)20-13-27-15-28-14-20;1-16-5-7-21(8-6-16)27-26-28-22-9-11-30(4)23(22)25(29-26)32-24-17(2)13-20(14-18(24)3)19-10-12-31-15-19;1-16-7-9-20(10-8-16)27-26-28-21-11-12-30(4)23(21)25(29-26)31-24-17(2)14-19(15-18(24)3)22-6-5-13-32-22/h5-15H,1-4H3,(H,30,31,32);5-16H,1-4H3,(H,29,30,31);5-15H,1-4H3,(H,29,30,31);2*5-15H,1-4H3,(H,27,28,29)
InChIKeyIGLGCQUSXSVIED-UHFFFAOYSA-N
XLogP33.37
TPSA324.55 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds25
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002207.10
LogP ≤ 533.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze 4-[4-(3-chloro-4-pyridinyl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyrimidin-5-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-thiophen-2-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-[4-(furan-3-yl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine with MolForge

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Related Compounds

3-[2-(3-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;3-[2-(4-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;3-[2-[4-(furan-3-yl)phenyl]-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;3-[2-(3-hydroxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;3-[2-(4-hydroxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 157124901
4-[[7-Chloro-4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-[[4-[2,6-dimethyl-4-(3-methyl-4-pyridinyl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-[[4-[4-(3-methoxy-4-pyridinyl)-2,6-dimethylphenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-[[4-[4-(2-methoxypyrimidin-5-yl)-2,6-dimethylphenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile
CID 157162382
2-[2-chloro-5-[2-(furan-3-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[[2-(4-hydroxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-(5-methyl-2-thiophen-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[2-chloro-5-[(2-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl]-1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 157189219
2-Chlorofuro[2,3-b]pyrazine;5-chlorofuro[3,2-b]pyridine;5-chlorofuro[2,3-c]pyridine;2-chloro-4-phenylfuro[3,2-d]pyrimidine;2-chloro-4-(3-phenylphenyl)furo[3,2-d]pyrimidine;2-chloro-4-(4-phenylphenyl)furo[3,2-d]pyrimidine;3-chlorothieno[2,3-b]pyrazine
CID 157392115
8-[2-[3-[9-(2,6-Diphenyl-4-pyridinyl)carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]-[1]benzothiolo[3,2-b]pyridine;8-[4-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridine;8-[4-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]-5-phenylpyrido[3,2-b]indole
CID 157862794
CID 157949263
CID 157949263
2-chloro-5-[2-(furan-3-yl)-9-methylpurin-6-yl]oxy-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-thiophen-3-ylpurin-6-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-propan-2-yl-2-pyridin-4-ylpurin-6-yl)oxybenzamide;2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-pyridin-4-ylpurin-6-yl)oxybenzamide
CID 158238518
1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[2-methyl-5-(9-methyl-2-thiophen-3-ylpurin-6-yl)oxyphenyl]ethanone;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(9-methyl-2-pyridin-3-ylpurin-6-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(2-pyridin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[2-pyridin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]oxybenzamide
CID 158284965
5-[2-(3-aminophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(4-aminophenyl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;5-[2-(furan-3-yl)-9-methylpurin-6-yl]oxy-2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(9-methyl-2-thiophen-3-ylpurin-6-yl)oxybenzamide
CID 158363229
2-Chloro-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine;2-chloro-7-naphthalen-2-ylpyrrolo[2,3-d]pyrimidine;2-chloro-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-7-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidine;3-chloro-5-phenylpyrrolo[2,3-b]pyrazine;6-chloro-1-phenylpyrrolo[2,3-b]pyridine;6-chloro-1-phenylpyrrolo[3,2-c]pyridine;2-chloro-7-phenylpyrrolo[2,3-d]pyrimidine
CID 158478550
8-[5-[3-[9-(4,6-Diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzofuro[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-[1]benzothiolo[3,2-b]pyridine;8-[5-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-5-phenylpyrido[3,2-b]indole
CID 158687640
4-[[4-[2,6-Dimethyl-4-(2-methyl-4-pyridinyl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-[[4-(2,6-dimethyl-4-thiophen-3-ylphenoxy)-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-[[4-[4-(2-fluoro-4-pyridinyl)-2,6-dimethylphenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-[[4-[4-(3-fluoro-4-pyridinyl)-2,6-dimethylphenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile
CID 158822986

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-4-pyridinyl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyrimidin-5-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-thiophen-2-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-[4-(furan-3-yl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-[4-(3-chloro-4-pyridinyl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyrimidin-5-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-thiophen-2-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-[4-(furan-3-yl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine (CID 158691830) is 4-[4-(3-chloro-4-pyridinyl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyrimidin-5-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-thiophen-2-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-[4-(furan-3-yl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(3-chloro-4-pyridinyl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyrimidin-5-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-thiophen-2-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-[4-(furan-3-yl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-[4-(3-chloro-4-pyridinyl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyrimidin-5-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-thiophen-2-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-[4-(furan-3-yl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine is Cc1ccc(Nc2nc(Oc3c(C)cc(-c4cccnc4)cc3C)c3c(ccn3C)n2)cc1.Cc1ccc(Nc2nc(Oc3c(C)cc(-c4cccs4)cc3C)c3c(ccn3C)n2)cc1.Cc1ccc(Nc2nc(Oc3c(C)cc(-c4ccncc4Cl)cc3C)c3c(ccn3C)n2)cc1.Cc1ccc(Nc2nc(Oc3c(C)cc(-c4ccoc4)cc3C)c3c(ccn3C)n2)cc1.Cc1ccc(Nc2nc(Oc3c(C)cc(-c4cncnc4)cc3C)c3c(ccn3C)n2)cc1.
What is the InChIKey of 4-[4-(3-chloro-4-pyridinyl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyrimidin-5-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-thiophen-2-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-[4-(furan-3-yl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine?
The InChIKey is IGLGCQUSXSVIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN5O.C27H25N5O.C26H24N6O.C26H24N4O2.C26H24N4OS/c1-16-5-7-20(8-6-16)30-27-31-23-10-12-33(4)24(23)26(32-27)34-25-17(2)13-19(14-18(25)3)21-9-11-29-15-22(21)28;1-17-7-9-22(10-8-17)29-27-30-23-11-13-32(4)24(23)26(31-27)33-25-18(2)14-21(15-19(25)3)20-6-5-12-28-16-20;1-16-5-7-21(8-6-16)29-26-30-22-9-10-32(4)23(22)25(31-26)33-24-17(2)11-19(12-18(24)3)20-13-27-15-28-14-20;1-16-5-7-21(8-6-16)27-26-28-22-9-11-30(4)23(22)25(29-26)32-24-17(2)13-20(14-18(24)3)19-10-12-31-15-19;1-16-7-9-20(10-8-16)27-26-28-21-11-12-30(4)23(21)25(29-26)31-24-17(2)14-19(15-18(24)3)22-6-5-13-32-22/h5-15H,1-4H3,(H,30,31,32);5-16H,1-4H3,(H,29,30,31);5-15H,1-4H3,(H,29,30,31);2*5-15H,1-4H3,(H,27,28,29).
What are the key properties of 4-[4-(3-chloro-4-pyridinyl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyrimidin-5-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-thiophen-2-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-[4-(furan-3-yl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine?
4-[4-(3-chloro-4-pyridinyl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyrimidin-5-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-thiophen-2-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-[4-(furan-3-yl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 2207.10 g/mol, XLogP of 33.37, 25 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloro-4-pyridinyl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-pyrimidin-5-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,6-dimethyl-4-thiophen-2-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;4-[4-(furan-3-yl)-2,6-dimethylphenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 158691830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).