3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[3-(dimethylamino)propyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(3,3-dimethylbutyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-3-[[4-[4-(2-oxopropyl)phenyl]pyrimidin-2-yl]amino]benzamide;N-[4-[2-[3-(thiomorpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide

C150H146F4N30O12S2 — CID 160817490

IUPAC3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[3-(dimethylamino)propyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(3,3-dimethylbutyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-3-[[4-[4-(2-oxopropyl)phenyl]pyrimidin-2-yl]amino]benzamide;N-[4-[2-[3-(thiomorpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)Cc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccc(F)cc4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)N4CCSCC4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCCC(C)(C)C)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCCCN(C)C)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccccc4C(F)(F)F)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4cccs4)c3)n2)cc1
InChIInChI=1S/C27H22F3N5O2.C27H23FN4O2.C25H29N5O2.C24H28N6O2.C24H21N5O2S.C23H23N5O2S/c1-17(36)33-21-11-9-18(10-12-21)24-13-14-31-26(35-24)34-22-7-4-6-19(15-22)25(37)32-16-20-5-2-3-8-23(20)27(28,29)30;1-18(33)15-19-5-9-21(10-6-19)25-13-14-29-27(32-25)31-24-4-2-3-22(16-24)26(34)30-17-20-7-11-23(28)12-8-20;1-17(31)28-20-10-8-18(9-11-20)22-12-14-27-24(30-22)29-21-7-5-6-19(16-21)23(32)26-15-13-25(2,3)4;1-17(31)27-20-10-8-18(9-11-20)22-12-14-26-24(29-22)28-21-7-4-6-19(16-21)23(32)25-13-5-15-30(2)3;1-16(30)27-19-9-7-17(8-10-19)22-11-12-25-24(29-22)28-20-5-2-4-18(14-20)23(31)26-15-21-6-3-13-32-21;1-16(29)25-19-7-5-17(6-8-19)21-9-10-24-23(27-21)26-20-4-2-3-18(15-20)22(30)28-11-13-31-14-12-28/h2-15H,16H2,1H3,(H,32,37)(H,33,36)(H,31,34,35);2-14,16H,15,17H2,1H3,(H,30,34)(H,29,31,32);5-12,14,16H,13,15H2,1-4H3,(H,26,32)(H,28,31)(H,27,29,30);4,6-12,14,16H,5,13,15H2,1-3H3,(H,25,32)(H,27,31)(H,26,28,29);2-14H,15H2,1H3,(H,26,31)(H,27,30)(H,25,28,29);2-10,15H,11-14H2,1H3,(H,25,29)(H,24,26,27)
InChIKeySFCBUALHIBQZQA-UHFFFAOYSA-N
MW2701.14 g/mol
LogP28.29
Rot. Bonds43

About 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[3-(dimethylamino)propyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(3,3-dimethylbutyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-3-[[4-[4-(2-oxopropyl)phenyl]pyrimidin-2-yl]amino]benzamide;N-[4-[2-[3-(thiomorpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide

3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[3-(dimethylamino)propyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(3,3-dimethylbutyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-3-[[4-[4-(2-oxopropyl)phenyl]pyrimidin-2-yl]amino]benzamide;N-[4-[2-[3-(thiomorpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide (PubChem CID 160817490) has the molecular formula C150H146F4N30O12S2 and a molecular weight of 2701.14 g/mol. Its IUPAC name is 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[3-(dimethylamino)propyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(3,3-dimethylbutyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-3-[[4-[4-(2-oxopropyl)phenyl]pyrimidin-2-yl]amino]benzamide;N-[4-[2-[3-(thiomorpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[3-(dimethylamino)propyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(3,3-dimethylbutyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-3-[[4-[4-(2-oxopropyl)phenyl]pyrimidin-2-yl]amino]benzamide;N-[4-[2-[3-(thiomorpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide
PubChem CID160817490
Molecular FormulaC150H146F4N30O12S2
Molecular Weight2701.14 g/mol
Exact Mass2699.11
IUPAC Name3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[3-(dimethylamino)propyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(3,3-dimethylbutyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-3-[[4-[4-(2-oxopropyl)phenyl]pyrimidin-2-yl]amino]benzamide;N-[4-[2-[3-(thiomorpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)Cc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccc(F)cc4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)N4CCSCC4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCCC(C)(C)C)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCCCN(C)C)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccccc4C(F)(F)F)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4cccs4)c3)n2)cc1
InChIInChI=1S/C27H22F3N5O2.C27H23FN4O2.C25H29N5O2.C24H28N6O2.C24H21N5O2S.C23H23N5O2S/c1-17(36)33-21-11-9-18(10-12-21)24-13-14-31-26(35-24)34-22-7-4-6-19(15-22)25(37)32-16-20-5-2-3-8-23(20)27(28,29)30;1-18(33)15-19-5-9-21(10-6-19)25-13-14-29-27(32-25)31-24-4-2-3-22(16-24)26(34)30-17-20-7-11-23(28)12-8-20;1-17(31)28-20-10-8-18(9-11-20)22-12-14-27-24(30-22)29-21-7-5-6-19(16-21)23(32)26-15-13-25(2,3)4;1-17(31)27-20-10-8-18(9-11-20)22-12-14-26-24(29-22)28-21-7-4-6-19(16-21)23(32)25-13-5-15-30(2)3;1-16(30)27-19-9-7-17(8-10-19)22-11-12-25-24(29-22)28-20-5-2-4-18(14-20)23(31)26-15-21-6-3-13-32-21;1-16(29)25-19-7-5-17(6-8-19)21-9-10-24-23(27-21)26-20-4-2-3-18(15-20)22(30)28-11-13-31-14-12-28/h2-15H,16H2,1H3,(H,32,37)(H,33,36)(H,31,34,35);2-14,16H,15,17H2,1H3,(H,30,34)(H,29,31,32);5-12,14,16H,13,15H2,1-4H3,(H,26,32)(H,28,31)(H,27,29,30);4,6-12,14,16H,5,13,15H2,1-3H3,(H,25,32)(H,27,31)(H,26,28,29);2-14H,15H2,1H3,(H,26,31)(H,27,30)(H,25,28,29);2-10,15H,11-14H2,1H3,(H,25,29)(H,24,26,27)
InChIKeySFCBUALHIBQZQA-UHFFFAOYSA-N
XLogP28.29
TPSA558.48 Ų
H-Bond Donors16
H-Bond Acceptors33
Rotatable Bonds43
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002701.14
LogP ≤ 528.29
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[3-(dimethylamino)propyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(3,3-dimethylbutyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-3-[[4-[4-(2-oxopropyl)phenyl]pyrimidin-2-yl]amino]benzamide;N-[4-[2-[3-(thiomorpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide with MolForge

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Related Compounds

4-methyl-3-[2-(methylamino)-4-thiophen-2-ylpyrimidin-5-yl]-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide
CID 70860627
4-methyl-3-[2-[2-(methylamino)-4-thiophen-2-ylpyrimidin-5-yl]ethynyl]-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[2-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]-3-(2-pyridin-3-ylethynyl)benzamide
CID 87801857
N-[3-[[5-[2-[[3-(6-aminopyrimidin-4-yl)-2-pyridinyl]amino]-4-[[3-piperazin-1-yl-5-(trifluoromethyl)benzoyl]amino]phenyl]-3-(6-hydrazinylpyrimidin-4-yl)-2-pyridinyl]amino]-4-methylphenyl]-5-tert-butylthiophene-2-carboxamide
CID 89337149
4-[[4-[[(1S,2S)-2-(2-fluoroethylcarbamoyl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-4-[[4-[[(1S,2S)-2-(methylcarbamoyl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(propan-2-ylcarbamoyl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 157099753
2-(2-Amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(4,4-difluoropiperidine-1-carbonyl)-4-methylpiperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[4-methyl-1-(piperazine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone
CID 158364255
N-(1-benzylpiperidin-4-yl)-4-(1,1-difluoroethyl)pyrimidin-2-amine;1-(1-benzylpiperidin-4-yl)-3-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)urea;N-(1-benzylpiperidin-4-yl)-2-phenylbutanamide;1-[[2-[(ethenylsulfonylamino)methyl]phenyl]methyl]-1-(1-pentan-2-ylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea;1-[[3-(2-ethenylsulfonylethyl)phenyl]methyl]-1-(1-pentan-2-ylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 158419539
N-[4-[(4-chloro-3-pyridinyl)sulfonylmethyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;N-[4-[(6-chloro-3-pyridinyl)sulfonylmethyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[6-(2-oxobut-3-enyl)naphthalen-2-yl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-(2-prop-2-enoyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide
CID 159047716
N-(2-acetamido-5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-8-yl)-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide;N-(2-amino-5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-8-yl)-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide;N-[2-(cyclopropylamino)-5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-8-yl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide;8-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]-2,5,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-thiophen-2-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 159467966
2-[3-[[4-(1-benzothiophen-2-yl)-7H-cyclopenta[b]pyridin-2-yl]methyl]-4-methylphenyl]-1-(3-methylphenyl)ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-3-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;1-(3-methylphenyl)-2-[4-methyl-3-[(4-pyridin-4-yl-7H-cyclopenta[b]pyridin-2-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(2-pyridin-3-yl-7H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 159606797
N-[4-(ethenylsulfonylmethyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-4-(prop-2-enoylamino)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-(2-oxobut-3-enyl)-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide
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(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-4-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-thiophen-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 161252727
2-[3-[[4-(2,3-difluorophenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-phenylpyrimidin-2-yl)methyl]benzamide;2-[3-[(4-phenylpyrimidin-2-yl)methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-(piperidin-1-ylmethyl)phenyl]-2-[3-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]phenyl]ethanone
CID 161288601

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[3-(dimethylamino)propyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(3,3-dimethylbutyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-3-[[4-[4-(2-oxopropyl)phenyl]pyrimidin-2-yl]amino]benzamide;N-[4-[2-[3-(thiomorpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide?
The IUPAC name of 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[3-(dimethylamino)propyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(3,3-dimethylbutyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-3-[[4-[4-(2-oxopropyl)phenyl]pyrimidin-2-yl]amino]benzamide;N-[4-[2-[3-(thiomorpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide (CID 160817490) is 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[3-(dimethylamino)propyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(3,3-dimethylbutyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-3-[[4-[4-(2-oxopropyl)phenyl]pyrimidin-2-yl]amino]benzamide;N-[4-[2-[3-(thiomorpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide.
What is the SMILES notation for 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[3-(dimethylamino)propyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(3,3-dimethylbutyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-3-[[4-[4-(2-oxopropyl)phenyl]pyrimidin-2-yl]amino]benzamide;N-[4-[2-[3-(thiomorpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide?
The canonical SMILES for 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[3-(dimethylamino)propyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(3,3-dimethylbutyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-3-[[4-[4-(2-oxopropyl)phenyl]pyrimidin-2-yl]amino]benzamide;N-[4-[2-[3-(thiomorpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide is CC(=O)Cc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccc(F)cc4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)N4CCSCC4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCCC(C)(C)C)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCCCN(C)C)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4ccccc4C(F)(F)F)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCc4cccs4)c3)n2)cc1.
What is the InChIKey of 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[3-(dimethylamino)propyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(3,3-dimethylbutyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-3-[[4-[4-(2-oxopropyl)phenyl]pyrimidin-2-yl]amino]benzamide;N-[4-[2-[3-(thiomorpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide?
The InChIKey is SFCBUALHIBQZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N5O2.C27H23FN4O2.C25H29N5O2.C24H28N6O2.C24H21N5O2S.C23H23N5O2S/c1-17(36)33-21-11-9-18(10-12-21)24-13-14-31-26(35-24)34-22-7-4-6-19(15-22)25(37)32-16-20-5-2-3-8-23(20)27(28,29)30;1-18(33)15-19-5-9-21(10-6-19)25-13-14-29-27(32-25)31-24-4-2-3-22(16-24)26(34)30-17-20-7-11-23(28)12-8-20;1-17(31)28-20-10-8-18(9-11-20)22-12-14-27-24(30-22)29-21-7-5-6-19(16-21)23(32)26-15-13-25(2,3)4;1-17(31)27-20-10-8-18(9-11-20)22-12-14-26-24(29-22)28-21-7-4-6-19(16-21)23(32)25-13-5-15-30(2)3;1-16(30)27-19-9-7-17(8-10-19)22-11-12-25-24(29-22)28-20-5-2-4-18(14-20)23(31)26-15-21-6-3-13-32-21;1-16(29)25-19-7-5-17(6-8-19)21-9-10-24-23(27-21)26-20-4-2-3-18(15-20)22(30)28-11-13-31-14-12-28/h2-15H,16H2,1H3,(H,32,37)(H,33,36)(H,31,34,35);2-14,16H,15,17H2,1H3,(H,30,34)(H,29,31,32);5-12,14,16H,13,15H2,1-4H3,(H,26,32)(H,28,31)(H,27,29,30);4,6-12,14,16H,5,13,15H2,1-3H3,(H,25,32)(H,27,31)(H,26,28,29);2-14H,15H2,1H3,(H,26,31)(H,27,30)(H,25,28,29);2-10,15H,11-14H2,1H3,(H,25,29)(H,24,26,27).
What are the key properties of 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[3-(dimethylamino)propyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(3,3-dimethylbutyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-3-[[4-[4-(2-oxopropyl)phenyl]pyrimidin-2-yl]amino]benzamide;N-[4-[2-[3-(thiomorpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide?
3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[3-(dimethylamino)propyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(3,3-dimethylbutyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-3-[[4-[4-(2-oxopropyl)phenyl]pyrimidin-2-yl]amino]benzamide;N-[4-[2-[3-(thiomorpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide has a molecular weight of 2701.14 g/mol, XLogP of 28.29, 43 rotatable bonds, 16 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[3-(dimethylamino)propyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(3,3-dimethylbutyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide;N-[(4-fluorophenyl)methyl]-3-[[4-[4-(2-oxopropyl)phenyl]pyrimidin-2-yl]amino]benzamide;N-[4-[2-[3-(thiomorpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 160817490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).