2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;N-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1,1-difluoromethanesulfonamide;4-N-cyclopropyl-5-fluoro-6-N-[(6-methylsulfonyl-3-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-fluoro-2-pyridinyl]methanesulfonamide;N-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1-fluoroethanesulfonamide

C114H114F21N29O9S4 — CID 158517286

IUPAC2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;N-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1,1-difluoromethanesulfonamide;4-N-cyclopropyl-5-fluoro-6-N-[(6-methylsulfonyl-3-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-fluoro-2-pyridinyl]methanesulfonamide;N-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1-fluoroethanesulfonamide
SMILESCC(F)(F)c1ccc(CN(c2cc(NCc3ccc(CC(N)=O)cc3)ncn2)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(NS(=O)(=O)C(F)F)cc3)c2F)C2CC2)cn1.CC(F)S(=O)(=O)Nc1ccc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cn3)C3CC3)c2F)cc1.CS(=O)(=O)Nc1ncc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)cc1F.CS(=O)(=O)c1ccc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cn3)C3CC3)c2F)cn1
InChIInChI=1S/C25H27F2N5O.2C23H23F5N6O2S.C22H21F5N6O2S.C21H20F4N6O2S/c1-25(26,27)20-8-6-19(7-9-20)15-32(21-10-11-21)24-13-23(30-16-31-24)29-14-18-4-2-17(3-5-18)12-22(28)33;1-23(27,28)18-9-4-15(11-29-18)12-34(17-7-8-17)21-19(24)20(31-13-32-21)30-10-14-2-5-16(6-3-14)33-37(35,36)22(25)26;1-14(24)37(35,36)33-17-5-2-15(3-6-17)10-30-21-20(25)22(32-13-31-21)34(19-8-9-19)12-18-7-4-16(11-29-18)23(26,27)28;1-36(34,35)32-19-17(23)8-14(9-28-19)10-29-20-18(24)21(31-12-30-20)33(16-6-7-16)11-13-2-4-15(5-3-13)22(25,26)27;1-34(32,33)17-7-2-13(8-27-17)9-28-19-18(22)20(30-12-29-19)31(16-5-6-16)11-15-4-3-14(10-26-15)21(23,24)25/h2-9,13,16,21H,10-12,14-15H2,1H3,(H2,28,33)(H,29,30,31);2-6,9,11,13,17,22,33H,7-8,10,12H2,1H3,(H,30,31,32);2-7,11,13-14,19,33H,8-10,12H2,1H3,(H,30,31,32);2-5,8-9,12,16H,6-7,10-11H2,1H3,(H,28,32)(H,29,30,31);2-4,7-8,10,12,16H,5-6,9,11H2,1H3,(H,28,29,30)
InChIKeyHLUAVSLXPRGQDO-UHFFFAOYSA-N
MW2561.59 g/mol
LogP22.06
Rot. Bonds48

About 2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;N-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1,1-difluoromethanesulfonamide;4-N-cyclopropyl-5-fluoro-6-N-[(6-methylsulfonyl-3-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-fluoro-2-pyridinyl]methanesulfonamide;N-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1-fluoroethanesulfonamide

2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;N-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1,1-difluoromethanesulfonamide;4-N-cyclopropyl-5-fluoro-6-N-[(6-methylsulfonyl-3-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-fluoro-2-pyridinyl]methanesulfonamide;N-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1-fluoroethanesulfonamide (PubChem CID 158517286) has the molecular formula C114H114F21N29O9S4 and a molecular weight of 2561.59 g/mol. Its IUPAC name is 2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;N-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1,1-difluoromethanesulfonamide;4-N-cyclopropyl-5-fluoro-6-N-[(6-methylsulfonyl-3-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-fluoro-2-pyridinyl]methanesulfonamide;N-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1-fluoroethanesulfonamide.

Molecular Properties

Compound Name2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;N-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1,1-difluoromethanesulfonamide;4-N-cyclopropyl-5-fluoro-6-N-[(6-methylsulfonyl-3-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-fluoro-2-pyridinyl]methanesulfonamide;N-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1-fluoroethanesulfonamide
PubChem CID158517286
Molecular FormulaC114H114F21N29O9S4
Molecular Weight2561.59 g/mol
Exact Mass2559.79
IUPAC Name2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;N-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1,1-difluoromethanesulfonamide;4-N-cyclopropyl-5-fluoro-6-N-[(6-methylsulfonyl-3-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-fluoro-2-pyridinyl]methanesulfonamide;N-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1-fluoroethanesulfonamide
SMILESCC(F)(F)c1ccc(CN(c2cc(NCc3ccc(CC(N)=O)cc3)ncn2)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(NS(=O)(=O)C(F)F)cc3)c2F)C2CC2)cn1.CC(F)S(=O)(=O)Nc1ccc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cn3)C3CC3)c2F)cc1.CS(=O)(=O)Nc1ncc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)cc1F.CS(=O)(=O)c1ccc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cn3)C3CC3)c2F)cn1
InChIInChI=1S/C25H27F2N5O.2C23H23F5N6O2S.C22H21F5N6O2S.C21H20F4N6O2S/c1-25(26,27)20-8-6-19(7-9-20)15-32(21-10-11-21)24-13-23(30-16-31-24)29-14-18-4-2-17(3-5-18)12-22(28)33;1-23(27,28)18-9-4-15(11-29-18)12-34(17-7-8-17)21-19(24)20(31-13-32-21)30-10-14-2-5-16(6-3-14)33-37(35,36)22(25)26;1-14(24)37(35,36)33-17-5-2-15(3-6-17)10-30-21-20(25)22(32-13-31-21)34(19-8-9-19)12-18-7-4-16(11-29-18)23(26,27)28;1-36(34,35)32-19-17(23)8-14(9-28-19)10-29-20-18(24)21(31-12-30-20)33(16-6-7-16)11-13-2-4-15(5-3-13)22(25,26)27;1-34(32,33)17-7-2-13(8-27-17)9-28-19-18(22)20(30-12-29-19)31(16-5-6-16)11-15-4-3-14(10-26-15)21(23,24)25/h2-9,13,16,21H,10-12,14-15H2,1H3,(H2,28,33)(H,29,30,31);2-6,9,11,13,17,22,33H,7-8,10,12H2,1H3,(H,30,31,32);2-7,11,13-14,19,33H,8-10,12H2,1H3,(H,30,31,32);2-5,8-9,12,16H,6-7,10-11H2,1H3,(H,28,32)(H,29,30,31);2-4,7-8,10,12,16H,5-6,9,11H2,1H3,(H,28,29,30)
InChIKeyHLUAVSLXPRGQDO-UHFFFAOYSA-N
XLogP22.06
TPSA485.44 Ų
H-Bond Donors9
H-Bond Acceptors34
Rotatable Bonds48
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002561.59
LogP ≤ 522.06
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1034

Analyze 2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;N-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1,1-difluoromethanesulfonamide;4-N-cyclopropyl-5-fluoro-6-N-[(6-methylsulfonyl-3-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-fluoro-2-pyridinyl]methanesulfonamide;N-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1-fluoroethanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

8-[(2R)-butan-2-yl]-2-(4-cyclopropyl-6-methylpyrimidin-5-yl)-6-[[4-(ethylsulfonimidoyl)phenyl]methylamino]-4-methylpteridin-7-one;8-[(1S)-1-cyclopropylethyl]-2-(4-cyclopropyl-6-methylpyrimidin-5-yl)-6-[[4-(ethylsulfonimidoyl)phenyl]methylamino]-4-methylpteridin-7-one;2-(4-cyclopropyl-6-methylpyrimidin-5-yl)-6-[[4-(ethylsulfonimidoyl)phenyl]methylamino]-4-methyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]pteridin-7-one;2-(4-cyclopropyl-6-methylpyrimidin-5-yl)-4-methyl-6-[(5-methylsulfonylpyrazin-2-yl)methylamino]-8-[(2S)-1,1,1-trifluoropropan-2-yl]pteridin-7-one
CID 157127545
6-[5-(Cyclopropyl-methylidene-oxo-lambda6-sulfanyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methyl(methylidene)-lambda4-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
CID 157212377
2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-[4-(trifluoromethylsulfonylmethyl)phenyl]ethyl]pyrimidin-4-amine;4-N-cyclopropyl-5-fluoro-6-N-[(6-methylsulfonyl-3-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-fluoro-2-pyridinyl]methanesulfonamide;N-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1-fluoroethanesulfonamide
CID 157272245
N-[3-[[5-[6-(cyclopropylamino)pyrimidin-4-yl]pyrimidin-4-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[[5-(6-methylsulfinylpyrimidin-4-yl)pyrimidin-4-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 157674256
N-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]-2,2,2-trifluoroethanesulfonamide;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine
CID 157828317
2-[5-[2-[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]-2-pyridinyl]acetamide;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(5-methylsulfonyl-2-pyridinyl)ethyl]pyrimidin-4-amine;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrimidin-4-amine;4-N-cyclopropyl-5-fluoro-6-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]pyrimidin-2-yl]methanesulfonamide;1-[5-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-2-pyridinyl]propan-2-one
CID 158544628
N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-[2-[4-(difluoromethylsulfonylmethyl)phenyl]ethyl]-5-fluoropyrimidin-4-amine;4-N-cyclopropyl-5-fluoro-6-N-[(6-methylsulfonyl-3-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-fluoro-2-pyridinyl]methanesulfonamide;N-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1-fluoroethanesulfonamide
CID 158906413
[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,5-difluoropiperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-(2-cyclopropylpyrimidin-5-yl)methanone;1-[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone;4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-N-pyridin-2-ylpiperidine-1-carboxamide;(1R)-1-(1-pyrimidin-5-ylsulfonylpiperidin-4-yl)-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[6-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine
CID 159253707
8-Ethyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(2-fluoro-4-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(4-methyl-2-pyrazin-2-ylpyrimidin-5-yl)-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-ylpyrimidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 159358363
2-[4-[[[6-[cyclopropyl-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;N-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1,1-difluoromethanesulfonamide;4-N-cyclopropyl-5-fluoro-6-N-[[6-(methyl-methylidene-oxo-lambda6-sulfanyl)-3-pyridinyl]methyl]-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-5-fluoro-4-N-[(4-pyrrol-1-ylphenyl)methyl]-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine
CID 159501569
[2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-2-oxoethyl]cyanamide;4-N-cyclopropyl-5-fluoro-6-N-[[6-(methyl-methylidene-oxo-lambda6-sulfanyl)-3-pyridinyl]methyl]-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-5-fluoro-4-N-[(4-pyrrol-1-ylphenyl)methyl]-6-N-[[4-(2H-tetrazol-5-ylmethyl)phenyl]methyl]pyrimidine-4,6-diamine;2-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 160327477
N,N-dimethyl-4-[[4-[2-[3-(methyl-methylidene-oxo-lambda6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N,N-dimethyl-3-[[4-[2-[3-(methyl-methylidene-oxo-lambda6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide;N,N-dimethyl-3-[[4-[2-[2-[methyl-(methyl-methylidene-oxo-lambda6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[2-[2-[methyl-(methyl-methylidene-oxo-lambda6-sulfanyl)amino]-3-pyridinyl]ethyl]-N-(2-methylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 160639785

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;N-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1,1-difluoromethanesulfonamide;4-N-cyclopropyl-5-fluoro-6-N-[(6-methylsulfonyl-3-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-fluoro-2-pyridinyl]methanesulfonamide;N-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1-fluoroethanesulfonamide?
The IUPAC name of 2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;N-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1,1-difluoromethanesulfonamide;4-N-cyclopropyl-5-fluoro-6-N-[(6-methylsulfonyl-3-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-fluoro-2-pyridinyl]methanesulfonamide;N-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1-fluoroethanesulfonamide (CID 158517286) is 2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;N-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1,1-difluoromethanesulfonamide;4-N-cyclopropyl-5-fluoro-6-N-[(6-methylsulfonyl-3-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-fluoro-2-pyridinyl]methanesulfonamide;N-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1-fluoroethanesulfonamide.
What is the SMILES notation for 2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;N-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1,1-difluoromethanesulfonamide;4-N-cyclopropyl-5-fluoro-6-N-[(6-methylsulfonyl-3-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-fluoro-2-pyridinyl]methanesulfonamide;N-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1-fluoroethanesulfonamide?
The canonical SMILES for 2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;N-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1,1-difluoromethanesulfonamide;4-N-cyclopropyl-5-fluoro-6-N-[(6-methylsulfonyl-3-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-fluoro-2-pyridinyl]methanesulfonamide;N-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1-fluoroethanesulfonamide is CC(F)(F)c1ccc(CN(c2cc(NCc3ccc(CC(N)=O)cc3)ncn2)C2CC2)cc1.CC(F)(F)c1ccc(CN(c2ncnc(NCc3ccc(NS(=O)(=O)C(F)F)cc3)c2F)C2CC2)cn1.CC(F)S(=O)(=O)Nc1ccc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cn3)C3CC3)c2F)cc1.CS(=O)(=O)Nc1ncc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)cc1F.CS(=O)(=O)c1ccc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cn3)C3CC3)c2F)cn1.
What is the InChIKey of 2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;N-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1,1-difluoromethanesulfonamide;4-N-cyclopropyl-5-fluoro-6-N-[(6-methylsulfonyl-3-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-fluoro-2-pyridinyl]methanesulfonamide;N-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1-fluoroethanesulfonamide?
The InChIKey is HLUAVSLXPRGQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O.2C23H23F5N6O2S.C22H21F5N6O2S.C21H20F4N6O2S/c1-25(26,27)20-8-6-19(7-9-20)15-32(21-10-11-21)24-13-23(30-16-31-24)29-14-18-4-2-17(3-5-18)12-22(28)33;1-23(27,28)18-9-4-15(11-29-18)12-34(17-7-8-17)21-19(24)20(31-13-32-21)30-10-14-2-5-16(6-3-14)33-37(35,36)22(25)26;1-14(24)37(35,36)33-17-5-2-15(3-6-17)10-30-21-20(25)22(32-13-31-21)34(19-8-9-19)12-18-7-4-16(11-29-18)23(26,27)28;1-36(34,35)32-19-17(23)8-14(9-28-19)10-29-20-18(24)21(31-12-30-20)33(16-6-7-16)11-13-2-4-15(5-3-13)22(25,26)27;1-34(32,33)17-7-2-13(8-27-17)9-28-19-18(22)20(30-12-29-19)31(16-5-6-16)11-15-4-3-14(10-26-15)21(23,24)25/h2-9,13,16,21H,10-12,14-15H2,1H3,(H2,28,33)(H,29,30,31);2-6,9,11,13,17,22,33H,7-8,10,12H2,1H3,(H,30,31,32);2-7,11,13-14,19,33H,8-10,12H2,1H3,(H,30,31,32);2-5,8-9,12,16H,6-7,10-11H2,1H3,(H,28,32)(H,29,30,31);2-4,7-8,10,12,16H,5-6,9,11H2,1H3,(H,28,29,30).
What are the key properties of 2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;N-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1,1-difluoromethanesulfonamide;4-N-cyclopropyl-5-fluoro-6-N-[(6-methylsulfonyl-3-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-fluoro-2-pyridinyl]methanesulfonamide;N-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1-fluoroethanesulfonamide?
2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;N-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1,1-difluoromethanesulfonamide;4-N-cyclopropyl-5-fluoro-6-N-[(6-methylsulfonyl-3-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-fluoro-2-pyridinyl]methanesulfonamide;N-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1-fluoroethanesulfonamide has a molecular weight of 2561.59 g/mol, XLogP of 22.06, 48 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;N-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1,1-difluoromethanesulfonamide;4-N-cyclopropyl-5-fluoro-6-N-[(6-methylsulfonyl-3-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-fluoro-2-pyridinyl]methanesulfonamide;N-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1-fluoroethanesulfonamide is sourced from PubChem (CID 158517286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).