5-[4-[(3-bromo-4-fluorophenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[(2,4-difluoro-3-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-(4-hex-5-ynylpiperazin-1-yl)pyrimidin-5-yl]sulfanylbenzamide;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-5-yl]sulfanylbenzamide;5-[4-[(2-fluoro-5-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine

C143H161BrF8N36O11S6 — CID 158018210

IUPAC5-[4-[(3-bromo-4-fluorophenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[(2,4-difluoro-3-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-(4-hex-5-ynylpiperazin-1-yl)pyrimidin-5-yl]sulfanylbenzamide;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-5-yl]sulfanylbenzamide;5-[4-[(2-fluoro-5-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine
SMILESC#CCCCCN1CCN(c2ncc(Sc3ccc(C(N)=O)cc3)c(OCc3cccc(N(C)C)c3)n2)CC1.CN(C)c1cccc(COc2nc(N3CCN(CCO)CC3)ncc2Sc2ccc(C(N)=O)cc2)c1.CN1CCN(c2ncc(Sc3ccc(N)nc3)c(OCc3ccc(F)c(Br)c3)n2)CC1.CN1CCN(c2ncc(Sc3ccc(N)nc3)c(OCc3ccc(F)c(C(F)(F)F)c3)n2)CC1.COc1c(F)ccc(COc2nc(N3CCN(C)CC3)ncc2Sc2ccc(N)nc2)c1F.COc1ccc(F)c(COc2nc(N3CCN(C)CC3)ncc2Sc2ccc(N)nc2)c1
InChIInChI=1S/C30H36N6O2S.C26H32N6O3S.C22H22F4N6OS.C22H24F2N6O2S.C22H25FN6O2S.C21H22BrFN6OS/c1-4-5-6-7-15-35-16-18-36(19-17-35)30-32-21-27(39-26-13-11-24(12-14-26)28(31)37)29(33-30)38-22-23-9-8-10-25(20-23)34(2)3;1-30(2)21-5-3-4-19(16-21)18-35-25-23(36-22-8-6-20(7-9-22)24(27)34)17-28-26(29-25)32-12-10-31(11-13-32)14-15-33;1-31-6-8-32(9-7-31)21-29-12-18(34-15-3-5-19(27)28-11-15)20(30-21)33-13-14-2-4-17(23)16(10-14)22(24,25)26;1-29-7-9-30(10-8-29)22-27-12-17(33-15-4-6-18(25)26-11-15)21(28-22)32-13-14-3-5-16(23)20(31-2)19(14)24;1-28-7-9-29(10-8-28)22-26-13-19(32-17-4-6-20(24)25-12-17)21(27-22)31-14-15-11-16(30-2)3-5-18(15)23;1-28-6-8-29(9-7-28)21-26-12-18(31-15-3-5-19(24)25-11-15)20(27-21)30-13-14-2-4-17(23)16(22)10-14/h1,8-14,20-21H,5-7,15-19,22H2,2-3H3,(H2,31,37);3-9,16-17,33H,10-15,18H2,1-2H3,(H2,27,34);2-5,10-12H,6-9,13H2,1H3,(H2,27,28);3-6,11-12H,7-10,13H2,1-2H3,(H2,25,26);3-6,11-13H,7-10,14H2,1-2H3,(H2,24,25);2-5,10-12H,6-9,13H2,1H3,(H2,24,25)
InChIKeyFFSVTNFNYSCWNN-UHFFFAOYSA-N
MW2984.39 g/mol
LogP21.02
Rot. Bonds48

About 5-[4-[(3-bromo-4-fluorophenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[(2,4-difluoro-3-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-(4-hex-5-ynylpiperazin-1-yl)pyrimidin-5-yl]sulfanylbenzamide;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-5-yl]sulfanylbenzamide;5-[4-[(2-fluoro-5-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine

5-[4-[(3-bromo-4-fluorophenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[(2,4-difluoro-3-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-(4-hex-5-ynylpiperazin-1-yl)pyrimidin-5-yl]sulfanylbenzamide;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-5-yl]sulfanylbenzamide;5-[4-[(2-fluoro-5-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine (PubChem CID 158018210) has the molecular formula C143H161BrF8N36O11S6 and a molecular weight of 2984.39 g/mol. Its IUPAC name is 5-[4-[(3-bromo-4-fluorophenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[(2,4-difluoro-3-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-(4-hex-5-ynylpiperazin-1-yl)pyrimidin-5-yl]sulfanylbenzamide;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-5-yl]sulfanylbenzamide;5-[4-[(2-fluoro-5-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine.

Molecular Properties

Compound Name5-[4-[(3-bromo-4-fluorophenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[(2,4-difluoro-3-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-(4-hex-5-ynylpiperazin-1-yl)pyrimidin-5-yl]sulfanylbenzamide;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-5-yl]sulfanylbenzamide;5-[4-[(2-fluoro-5-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine
PubChem CID158018210
Molecular FormulaC143H161BrF8N36O11S6
Molecular Weight2984.39 g/mol
Exact Mass2981.05
IUPAC Name5-[4-[(3-bromo-4-fluorophenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[(2,4-difluoro-3-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-(4-hex-5-ynylpiperazin-1-yl)pyrimidin-5-yl]sulfanylbenzamide;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-5-yl]sulfanylbenzamide;5-[4-[(2-fluoro-5-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine
SMILESC#CCCCCN1CCN(c2ncc(Sc3ccc(C(N)=O)cc3)c(OCc3cccc(N(C)C)c3)n2)CC1.CN(C)c1cccc(COc2nc(N3CCN(CCO)CC3)ncc2Sc2ccc(C(N)=O)cc2)c1.CN1CCN(c2ncc(Sc3ccc(N)nc3)c(OCc3ccc(F)c(Br)c3)n2)CC1.CN1CCN(c2ncc(Sc3ccc(N)nc3)c(OCc3ccc(F)c(C(F)(F)F)c3)n2)CC1.COc1c(F)ccc(COc2nc(N3CCN(C)CC3)ncc2Sc2ccc(N)nc2)c1F.COc1ccc(F)c(COc2nc(N3CCN(C)CC3)ncc2Sc2ccc(N)nc2)c1
InChIInChI=1S/C30H36N6O2S.C26H32N6O3S.C22H22F4N6OS.C22H24F2N6O2S.C22H25FN6O2S.C21H22BrFN6OS/c1-4-5-6-7-15-35-16-18-36(19-17-35)30-32-21-27(39-26-13-11-24(12-14-26)28(31)37)29(33-30)38-22-23-9-8-10-25(20-23)34(2)3;1-30(2)21-5-3-4-19(16-21)18-35-25-23(36-22-8-6-20(7-9-22)24(27)34)17-28-26(29-25)32-12-10-31(11-13-32)14-15-33;1-31-6-8-32(9-7-31)21-29-12-18(34-15-3-5-19(27)28-11-15)20(30-21)33-13-14-2-4-17(23)16(10-14)22(24,25)26;1-29-7-9-30(10-8-29)22-27-12-17(33-15-4-6-18(25)26-11-15)21(28-22)32-13-14-3-5-16(23)20(31-2)19(14)24;1-28-7-9-29(10-8-28)22-26-13-19(32-17-4-6-20(24)25-12-17)21(27-22)31-14-15-11-16(30-2)3-5-18(15)23;1-28-6-8-29(9-7-28)21-26-12-18(31-15-3-5-19(24)25-11-15)20(27-21)30-13-14-2-4-17(23)16(22)10-14/h1,8-14,20-21H,5-7,15-19,22H2,2-3H3,(H2,31,37);3-9,16-17,33H,10-15,18H2,1-2H3,(H2,27,34);2-5,10-12H,6-9,13H2,1H3,(H2,27,28);3-6,11-12H,7-10,13H2,1-2H3,(H2,25,26);3-6,11-13H,7-10,14H2,1-2H3,(H2,24,25);2-5,10-12H,6-9,13H2,1H3,(H2,24,25)
InChIKeyFFSVTNFNYSCWNN-UHFFFAOYSA-N
XLogP21.02
TPSA535.93 Ų
H-Bond Donors7
H-Bond Acceptors51
Rotatable Bonds48
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002984.39
LogP ≤ 521.02
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

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

Analyze 5-[4-[(3-bromo-4-fluorophenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[(2,4-difluoro-3-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-(4-hex-5-ynylpiperazin-1-yl)pyrimidin-5-yl]sulfanylbenzamide;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-5-yl]sulfanylbenzamide;5-[4-[(2-fluoro-5-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-[4-[(2,4-difluoro-3-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine
CID 118515158
4-[2-(4-hex-5-ynylpiperazin-1-yl)-4-[(3-methoxyphenyl)methoxy]pyrimidin-5-yl]sulfanylbenzonitrile
CID 118515173
4-[4-[(3-iodophenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylbenzamide
CID 118515070
4-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-[(3-methoxyphenyl)methoxy]pyrimidin-5-yl]sulfanylbenzamide
CID 118515289
4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanyl-2-iodobenzamide
CID 163697060
4-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-[(4-fluoro-3-methoxyphenyl)methoxy]pyrimidin-5-yl]sulfanylbenzamide
CID 118515277
4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzamide;4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanyl-N-(piperidin-1-ylmethyl)benzamide;4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanyl-N-(pyrrolidin-1-ylmethyl)benzamide
CID 161448275
4-[4-[(3-iodophenyl)methoxy]-2-pyrrolidin-1-ylpyrimidin-5-yl]sulfanylbenzamide
CID 163761704
5-[2-[3-(dimethylamino)pyrrolidin-1-yl]-4-[(3-methoxyphenyl)methoxy]pyrimidin-5-yl]sulfanylpyridine-2-carboxamide
CID 135139129
4-[4-[(3-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylbenzonitrile
CID 118515051
4-[4-[(3-methoxyphenyl)methoxy]-2-(4-prop-2-ynylpiperazin-1-yl)pyrimidin-5-yl]sulfanylbenzonitrile
CID 118521378
3-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzamide
CID 118515033

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-bromo-4-fluorophenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[(2,4-difluoro-3-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-(4-hex-5-ynylpiperazin-1-yl)pyrimidin-5-yl]sulfanylbenzamide;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-5-yl]sulfanylbenzamide;5-[4-[(2-fluoro-5-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine?
The IUPAC name of 5-[4-[(3-bromo-4-fluorophenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[(2,4-difluoro-3-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-(4-hex-5-ynylpiperazin-1-yl)pyrimidin-5-yl]sulfanylbenzamide;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-5-yl]sulfanylbenzamide;5-[4-[(2-fluoro-5-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine (CID 158018210) is 5-[4-[(3-bromo-4-fluorophenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[(2,4-difluoro-3-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-(4-hex-5-ynylpiperazin-1-yl)pyrimidin-5-yl]sulfanylbenzamide;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-5-yl]sulfanylbenzamide;5-[4-[(2-fluoro-5-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine.
What is the SMILES notation for 5-[4-[(3-bromo-4-fluorophenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[(2,4-difluoro-3-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-(4-hex-5-ynylpiperazin-1-yl)pyrimidin-5-yl]sulfanylbenzamide;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-5-yl]sulfanylbenzamide;5-[4-[(2-fluoro-5-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine?
The canonical SMILES for 5-[4-[(3-bromo-4-fluorophenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[(2,4-difluoro-3-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-(4-hex-5-ynylpiperazin-1-yl)pyrimidin-5-yl]sulfanylbenzamide;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-5-yl]sulfanylbenzamide;5-[4-[(2-fluoro-5-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine is C#CCCCCN1CCN(c2ncc(Sc3ccc(C(N)=O)cc3)c(OCc3cccc(N(C)C)c3)n2)CC1.CN(C)c1cccc(COc2nc(N3CCN(CCO)CC3)ncc2Sc2ccc(C(N)=O)cc2)c1.CN1CCN(c2ncc(Sc3ccc(N)nc3)c(OCc3ccc(F)c(Br)c3)n2)CC1.CN1CCN(c2ncc(Sc3ccc(N)nc3)c(OCc3ccc(F)c(C(F)(F)F)c3)n2)CC1.COc1c(F)ccc(COc2nc(N3CCN(C)CC3)ncc2Sc2ccc(N)nc2)c1F.COc1ccc(F)c(COc2nc(N3CCN(C)CC3)ncc2Sc2ccc(N)nc2)c1.
What is the InChIKey of 5-[4-[(3-bromo-4-fluorophenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[(2,4-difluoro-3-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-(4-hex-5-ynylpiperazin-1-yl)pyrimidin-5-yl]sulfanylbenzamide;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-5-yl]sulfanylbenzamide;5-[4-[(2-fluoro-5-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine?
The InChIKey is FFSVTNFNYSCWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O2S.C26H32N6O3S.C22H22F4N6OS.C22H24F2N6O2S.C22H25FN6O2S.C21H22BrFN6OS/c1-4-5-6-7-15-35-16-18-36(19-17-35)30-32-21-27(39-26-13-11-24(12-14-26)28(31)37)29(33-30)38-22-23-9-8-10-25(20-23)34(2)3;1-30(2)21-5-3-4-19(16-21)18-35-25-23(36-22-8-6-20(7-9-22)24(27)34)17-28-26(29-25)32-12-10-31(11-13-32)14-15-33;1-31-6-8-32(9-7-31)21-29-12-18(34-15-3-5-19(27)28-11-15)20(30-21)33-13-14-2-4-17(23)16(10-14)22(24,25)26;1-29-7-9-30(10-8-29)22-27-12-17(33-15-4-6-18(25)26-11-15)21(28-22)32-13-14-3-5-16(23)20(31-2)19(14)24;1-28-7-9-29(10-8-28)22-26-13-19(32-17-4-6-20(24)25-12-17)21(27-22)31-14-15-11-16(30-2)3-5-18(15)23;1-28-6-8-29(9-7-28)21-26-12-18(31-15-3-5-19(24)25-11-15)20(27-21)30-13-14-2-4-17(23)16(22)10-14/h1,8-14,20-21H,5-7,15-19,22H2,2-3H3,(H2,31,37);3-9,16-17,33H,10-15,18H2,1-2H3,(H2,27,34);2-5,10-12H,6-9,13H2,1H3,(H2,27,28);3-6,11-12H,7-10,13H2,1-2H3,(H2,25,26);3-6,11-13H,7-10,14H2,1-2H3,(H2,24,25);2-5,10-12H,6-9,13H2,1H3,(H2,24,25).
What are the key properties of 5-[4-[(3-bromo-4-fluorophenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[(2,4-difluoro-3-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-(4-hex-5-ynylpiperazin-1-yl)pyrimidin-5-yl]sulfanylbenzamide;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-5-yl]sulfanylbenzamide;5-[4-[(2-fluoro-5-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine?
5-[4-[(3-bromo-4-fluorophenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[(2,4-difluoro-3-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-(4-hex-5-ynylpiperazin-1-yl)pyrimidin-5-yl]sulfanylbenzamide;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-5-yl]sulfanylbenzamide;5-[4-[(2-fluoro-5-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine has a molecular weight of 2984.39 g/mol, XLogP of 21.02, 48 rotatable bonds, 7 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3-bromo-4-fluorophenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[(2,4-difluoro-3-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-(4-hex-5-ynylpiperazin-1-yl)pyrimidin-5-yl]sulfanylbenzamide;4-[4-[[3-(dimethylamino)phenyl]methoxy]-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-5-yl]sulfanylbenzamide;5-[4-[(2-fluoro-5-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine;5-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyridin-2-amine is sourced from PubChem (CID 158018210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).