2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-pyridin-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine

C138H145F4N31O6S — CID 159727619

IUPAC2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-pyridin-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine
SMILESCC1=Cc2c(cc(F)c(Oc3nc(NC4=NCC(c5ccccc5)=C4)cc(N4CCN(C)CC4)n3)c2F)C1.CC1=Cc2c(cc(F)c(Oc3nc(NC4=NCC(c5ccccn5)=C4)cc(N4CCN(C)CC4)n3)c2F)C1.CC1=Cc2cc(Oc3nc(NC4=NCC(c5ccco5)=C4)cc(N4CCN(C)CC4)n3)ccc2C1.CC1=Cc2cc(Oc3nc(NC4=NCC(c5cccs5)=C4)cc(N4CCN(C)CC4)n3)ccc2C1.CCCC1=CC(Nc2cc(N3CCN(C)CC3)nc(Oc3ccc4c(c3C)C=C(C)C4)n2)=NC1
InChIInChI=1S/C29H28F2N6O.C28H27F2N7O.C27H28N6O2.C27H28N6OS.C27H34N6O/c1-18-12-20-14-23(30)28(27(31)22(20)13-18)38-29-34-25(16-26(35-29)37-10-8-36(2)9-11-37)33-24-15-21(17-32-24)19-6-4-3-5-7-19;1-17-11-18-13-21(29)27(26(30)20(18)12-17)38-28-34-24(15-25(35-28)37-9-7-36(2)8-10-37)33-23-14-19(16-32-23)22-5-3-4-6-31-22;1-18-12-19-5-6-22(14-20(19)13-18)35-27-30-25(16-26(31-27)33-9-7-32(2)8-10-33)29-24-15-21(17-28-24)23-4-3-11-34-23;1-18-12-19-5-6-22(14-20(19)13-18)34-27-30-25(16-26(31-27)33-9-7-32(2)8-10-33)29-24-15-21(17-28-24)23-4-3-11-35-23;1-5-6-20-15-24(28-17-20)29-25-16-26(33-11-9-32(4)10-12-33)31-27(30-25)34-23-8-7-21-13-18(2)14-22(21)19(23)3/h3-7,13-16H,8-12,17H2,1-2H3,(H,32,33,34,35);3-6,12-15H,7-11,16H2,1-2H3,(H,32,33,34,35);2*3-6,11,13-16H,7-10,12,17H2,1-2H3,(H,28,29,30,31);7-8,14-16H,5-6,9-13,17H2,1-4H3,(H,28,29,30,31)
InChIKeyNAVHIKQNUWRICO-UHFFFAOYSA-N
MW2441.95 g/mol
LogP24.00
Rot. Bonds26

About 2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-pyridin-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine

2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-pyridin-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine (PubChem CID 159727619) has the molecular formula C138H145F4N31O6S and a molecular weight of 2441.95 g/mol. Its IUPAC name is 2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-pyridin-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-pyridin-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine
PubChem CID159727619
Molecular FormulaC138H145F4N31O6S
Molecular Weight2441.95 g/mol
Exact Mass2440.17
IUPAC Name2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-pyridin-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine
SMILESCC1=Cc2c(cc(F)c(Oc3nc(NC4=NCC(c5ccccc5)=C4)cc(N4CCN(C)CC4)n3)c2F)C1.CC1=Cc2c(cc(F)c(Oc3nc(NC4=NCC(c5ccccn5)=C4)cc(N4CCN(C)CC4)n3)c2F)C1.CC1=Cc2cc(Oc3nc(NC4=NCC(c5ccco5)=C4)cc(N4CCN(C)CC4)n3)ccc2C1.CC1=Cc2cc(Oc3nc(NC4=NCC(c5cccs5)=C4)cc(N4CCN(C)CC4)n3)ccc2C1.CCCC1=CC(Nc2cc(N3CCN(C)CC3)nc(Oc3ccc4c(c3C)C=C(C)C4)n2)=NC1
InChIInChI=1S/C29H28F2N6O.C28H27F2N7O.C27H28N6O2.C27H28N6OS.C27H34N6O/c1-18-12-20-14-23(30)28(27(31)22(20)13-18)38-29-34-25(16-26(35-29)37-10-8-36(2)9-11-37)33-24-15-21(17-32-24)19-6-4-3-5-7-19;1-17-11-18-13-21(29)27(26(30)20(18)12-17)38-28-34-24(15-25(35-28)37-9-7-36(2)8-10-37)33-23-14-19(16-32-23)22-5-3-4-6-31-22;1-18-12-19-5-6-22(14-20(19)13-18)35-27-30-25(16-26(31-27)33-9-7-32(2)8-10-33)29-24-15-21(17-28-24)23-4-3-11-34-23;1-18-12-19-5-6-22(14-20(19)13-18)34-27-30-25(16-26(31-27)33-9-7-32(2)8-10-33)29-24-15-21(17-28-24)23-4-3-11-35-23;1-5-6-20-15-24(28-17-20)29-25-16-26(33-11-9-32(4)10-12-33)31-27(30-25)34-23-8-7-21-13-18(2)14-22(21)19(23)3/h3-7,13-16H,8-12,17H2,1-2H3,(H,32,33,34,35);3-6,12-15H,7-11,16H2,1-2H3,(H,32,33,34,35);2*3-6,11,13-16H,7-10,12,17H2,1-2H3,(H,28,29,30,31);7-8,14-16H,5-6,9-13,17H2,1-4H3,(H,28,29,30,31)
InChIKeyNAVHIKQNUWRICO-UHFFFAOYSA-N
XLogP24.00
TPSA355.43 Ų
H-Bond Donors5
H-Bond Acceptors38
Rotatable Bonds26
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002441.95
LogP ≤ 524.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1038

Analyze 2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-pyridin-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

Methyl 4-[[2-[2-fluoro-5-[[4-[[2-[2-fluoro-5-[[4-[[2-(2-fluoro-5-methylphenyl)-5-(furan-2-yl)pyrimidin-4-yl]amino]-3-methyl-2-pyridinyl]methyl]phenyl]-5-thiophen-3-ylpyrimidin-4-yl]amino]-3-methyl-2-pyridinyl]methyl]phenyl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylate
CID 142855981
(5Z)-5-[[2-[[4-[[4-fluoro-2-(furan-2-yl)phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[1-(6-thiophen-3-yl-2-pyridinyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(6-thiophen-2-yl-2-pyridinyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 157512391
(5Z)-5-[[2-[[4-[[4-fluoro-2-(furan-2-yl)phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(6-fluoronaphthalen-2-yl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[3-(furan-2-yl)phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;bis((5Z)-5-[[2-[[4-(2-phenylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione);bis((5Z)-5-[[2-[[4-(2-pyridin-2-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione);(5Z)-5-[[2-[[4-[1-(6-thiophen-3-yl-2-pyridinyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 159592312
(5Z)-5-[[2-[4-[3-(1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[3-fluoro-6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-fluoro-5-thiophen-3-ylphenyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-fluoro-6-thiophen-3-ylphenyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-oxo-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 160702119
CID 160790822
CID 160790822
3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-(furan-3-yl)-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-(4-methoxy-3-pyridinyl)-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-yl-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-isoindole;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-thiophen-3-yl-1H-isoindole;3-[6-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-5-pyridin-3-yl-1H-isoindole
CID 161136576
(5Z)-5-[[2-[4-[3-(2-aminophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-fluoro-2-pyridinyl)propyl]piperidin-1-yl]-6-methoxypyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(7-fluoroquinolin-2-yl)propyl]piperidin-1-yl]-6-methoxypyrimidin-4-yl]methylidene]thiolane-2,4-dione;methane;(5Z)-5-[[2-[4-[3-(5-thiophen-3-ylfuran-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(4-thiophen-3-ylthiophen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(trifluoromethyl)quinolin-4-yl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 161695600
(5Z)-5-[[2-[[4-[[6-(furan-2-yl)-2-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[6-(furan-3-yl)-2-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[1-(6-thiophen-3-yl-2-pyridinyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;bis((5Z)-5-[[2-[[4-[(6-thiophen-2-yl-2-pyridinyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione);(5Z)-5-[[2-[[4-[(6-thiophen-3-yl-2-pyridinyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 162027596
2-Dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 157059640
(3S)-8-(furan-2-yl)-3'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole];(5R)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(5S)-2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];(3S)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];(3R)-8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]
CID 157102802
4-[4-(1-Dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 157116829
4-[4-(4-Dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 157140845

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-pyridin-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine?
The IUPAC name of 2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-pyridin-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine (CID 159727619) is 2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-pyridin-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-pyridin-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine?
The canonical SMILES for 2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-pyridin-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine is CC1=Cc2c(cc(F)c(Oc3nc(NC4=NCC(c5ccccc5)=C4)cc(N4CCN(C)CC4)n3)c2F)C1.CC1=Cc2c(cc(F)c(Oc3nc(NC4=NCC(c5ccccn5)=C4)cc(N4CCN(C)CC4)n3)c2F)C1.CC1=Cc2cc(Oc3nc(NC4=NCC(c5ccco5)=C4)cc(N4CCN(C)CC4)n3)ccc2C1.CC1=Cc2cc(Oc3nc(NC4=NCC(c5cccs5)=C4)cc(N4CCN(C)CC4)n3)ccc2C1.CCCC1=CC(Nc2cc(N3CCN(C)CC3)nc(Oc3ccc4c(c3C)C=C(C)C4)n2)=NC1.
What is the InChIKey of 2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-pyridin-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine?
The InChIKey is NAVHIKQNUWRICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F2N6O.C28H27F2N7O.C27H28N6O2.C27H28N6OS.C27H34N6O/c1-18-12-20-14-23(30)28(27(31)22(20)13-18)38-29-34-25(16-26(35-29)37-10-8-36(2)9-11-37)33-24-15-21(17-32-24)19-6-4-3-5-7-19;1-17-11-18-13-21(29)27(26(30)20(18)12-17)38-28-34-24(15-25(35-28)37-9-7-36(2)8-10-37)33-23-14-19(16-32-23)22-5-3-4-6-31-22;1-18-12-19-5-6-22(14-20(19)13-18)35-27-30-25(16-26(31-27)33-9-7-32(2)8-10-33)29-24-15-21(17-28-24)23-4-3-11-34-23;1-18-12-19-5-6-22(14-20(19)13-18)34-27-30-25(16-26(31-27)33-9-7-32(2)8-10-33)29-24-15-21(17-28-24)23-4-3-11-35-23;1-5-6-20-15-24(28-17-20)29-25-16-26(33-11-9-32(4)10-12-33)31-27(30-25)34-23-8-7-21-13-18(2)14-22(21)19(23)3/h3-7,13-16H,8-12,17H2,1-2H3,(H,32,33,34,35);3-6,12-15H,7-11,16H2,1-2H3,(H,32,33,34,35);2*3-6,11,13-16H,7-10,12,17H2,1-2H3,(H,28,29,30,31);7-8,14-16H,5-6,9-13,17H2,1-4H3,(H,28,29,30,31).
What are the key properties of 2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-pyridin-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine?
2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-pyridin-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine has a molecular weight of 2441.95 g/mol, XLogP of 24.00, 26 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-phenyl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(4,6-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-pyridin-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine;2-[(2,4-dimethyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-propyl-2H-pyrrol-5-yl)pyrimidin-4-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;2-[(2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 159727619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).