2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-3-ylmethylamino)pyrimidine-5-carboxamide;2-[3-(aminomethyl)piperidin-1-yl]-1-phenylethanone;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;benzyl 3-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;carbanide;2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;palladium

C153H188Cl4N39O22Pd- — CID 158858503

IUPAC2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-3-ylmethylamino)pyrimidine-5-carboxamide;2-[3-(aminomethyl)piperidin-1-yl]-1-phenylethanone;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;benzyl 3-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;carbanide;2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;palladium
SMILESCC(=O)N1CCN(c2ccc(N)cc2)CC1.CC(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NCC4CCCN(C(=O)OCc5ccccc5)C4)n3)cc2)CC1.CC(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NCC4CCCNC4)n3)cc2)CC1.CCOC(=O)c1cnc(Cl)nc1Cl.CCOC(=O)c1cnc(Cl)nc1NCC1CCCN(C(=O)OCc2ccccc2)C1.NC(=O)c1cnc(On2nnc3ccccc32)nc1NCC1CCCN(C(=O)OCc2ccccc2)C1.NCC1CCCN(CC(=O)c2ccccc2)C1.O=C(O)c1cnc(Cl)nc1NCC1CCCN(C(=O)OCc2ccccc2)C1.[CH3-].[Pd]
InChIInChI=1S/C31H38N8O4.C25H26N8O4.C23H32N8O2.C21H25ClN4O4.C19H21ClN4O4.C14H20N2O.C12H17N3O.C7H6Cl2N2O2.CH3.Pd/c1-22(40)37-14-16-38(17-15-37)26-11-9-25(10-12-26)35-30-34-19-27(28(32)41)29(36-30)33-18-24-8-5-13-39(20-24)31(42)43-21-23-6-3-2-4-7-23;26-22(34)19-14-28-24(37-33-21-11-5-4-10-20(21)30-31-33)29-23(19)27-13-18-9-6-12-32(15-18)25(35)36-16-17-7-2-1-3-8-17;1-16(32)30-9-11-31(12-10-30)19-6-4-18(5-7-19)28-23-27-15-20(21(24)33)22(29-23)26-14-17-3-2-8-25-13-17;1-2-29-19(27)17-12-24-20(22)25-18(17)23-11-16-9-6-10-26(13-16)21(28)30-14-15-7-4-3-5-8-15;20-18-22-10-15(17(25)26)16(23-18)21-9-14-7-4-8-24(11-14)19(27)28-12-13-5-2-1-3-6-13;15-9-12-5-4-8-16(10-12)11-14(17)13-6-2-1-3-7-13;1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12;1-2-13-6(12)4-3-10-7(9)11-5(4)8;;/h2-4,6-7,9-12,19,24H,5,8,13-18,20-21H2,1H3,(H2,32,41)(H2,33,34,35,36);1-5,7-8,10-11,14,18H,6,9,12-13,15-16H2,(H2,26,34)(H,27,28,29);4-7,15,17,25H,2-3,8-14H2,1H3,(H2,24,33)(H2,26,27,28,29);3-5,7-8,12,16H,2,6,9-11,13-14H2,1H3,(H,23,24,25);1-3,5-6,10,14H,4,7-9,11-12H2,(H,25,26)(H,21,22,23);1-3,6-7,12H,4-5,8-11,15H2;2-5H,6-9,13H2,1H3;3H,2H2,1H3;1H3;/q;;;;;;;;-1;
InChIKeyVLYBJHYJPUIJGA-UHFFFAOYSA-N
MW3173.67 g/mol
LogP19.41
Rot. Bonds44

About 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-3-ylmethylamino)pyrimidine-5-carboxamide;2-[3-(aminomethyl)piperidin-1-yl]-1-phenylethanone;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;benzyl 3-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;carbanide;2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;palladium

2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-3-ylmethylamino)pyrimidine-5-carboxamide;2-[3-(aminomethyl)piperidin-1-yl]-1-phenylethanone;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;benzyl 3-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;carbanide;2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;palladium (PubChem CID 158858503) has the molecular formula C153H188Cl4N39O22Pd- and a molecular weight of 3173.67 g/mol. Its IUPAC name is 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-3-ylmethylamino)pyrimidine-5-carboxamide;2-[3-(aminomethyl)piperidin-1-yl]-1-phenylethanone;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;benzyl 3-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;carbanide;2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;palladium.

Molecular Properties

Compound Name2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-3-ylmethylamino)pyrimidine-5-carboxamide;2-[3-(aminomethyl)piperidin-1-yl]-1-phenylethanone;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;benzyl 3-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;carbanide;2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;palladium
PubChem CID158858503
Molecular FormulaC153H188Cl4N39O22Pd-
Molecular Weight3173.67 g/mol
Exact Mass3169.26
IUPAC Name2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-3-ylmethylamino)pyrimidine-5-carboxamide;2-[3-(aminomethyl)piperidin-1-yl]-1-phenylethanone;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;benzyl 3-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;carbanide;2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;palladium
SMILESCC(=O)N1CCN(c2ccc(N)cc2)CC1.CC(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NCC4CCCN(C(=O)OCc5ccccc5)C4)n3)cc2)CC1.CC(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NCC4CCCNC4)n3)cc2)CC1.CCOC(=O)c1cnc(Cl)nc1Cl.CCOC(=O)c1cnc(Cl)nc1NCC1CCCN(C(=O)OCc2ccccc2)C1.NC(=O)c1cnc(On2nnc3ccccc32)nc1NCC1CCCN(C(=O)OCc2ccccc2)C1.NCC1CCCN(CC(=O)c2ccccc2)C1.O=C(O)c1cnc(Cl)nc1NCC1CCCN(C(=O)OCc2ccccc2)C1.[CH3-].[Pd]
InChIInChI=1S/C31H38N8O4.C25H26N8O4.C23H32N8O2.C21H25ClN4O4.C19H21ClN4O4.C14H20N2O.C12H17N3O.C7H6Cl2N2O2.CH3.Pd/c1-22(40)37-14-16-38(17-15-37)26-11-9-25(10-12-26)35-30-34-19-27(28(32)41)29(36-30)33-18-24-8-5-13-39(20-24)31(42)43-21-23-6-3-2-4-7-23;26-22(34)19-14-28-24(37-33-21-11-5-4-10-20(21)30-31-33)29-23(19)27-13-18-9-6-12-32(15-18)25(35)36-16-17-7-2-1-3-8-17;1-16(32)30-9-11-31(12-10-30)19-6-4-18(5-7-19)28-23-27-15-20(21(24)33)22(29-23)26-14-17-3-2-8-25-13-17;1-2-29-19(27)17-12-24-20(22)25-18(17)23-11-16-9-6-10-26(13-16)21(28)30-14-15-7-4-3-5-8-15;20-18-22-10-15(17(25)26)16(23-18)21-9-14-7-4-8-24(11-14)19(27)28-12-13-5-2-1-3-6-13;15-9-12-5-4-8-16(10-12)11-14(17)13-6-2-1-3-7-13;1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12;1-2-13-6(12)4-3-10-7(9)11-5(4)8;;/h2-4,6-7,9-12,19,24H,5,8,13-18,20-21H2,1H3,(H2,32,41)(H2,33,34,35,36);1-5,7-8,10-11,14,18H,6,9,12-13,15-16H2,(H2,26,34)(H,27,28,29);4-7,15,17,25H,2-3,8-14H2,1H3,(H2,24,33)(H2,26,27,28,29);3-5,7-8,12,16H,2,6,9-11,13-14H2,1H3,(H,23,24,25);1-3,5-6,10,14H,4,7-9,11-12H2,(H,25,26)(H,21,22,23);1-3,6-7,12H,4-5,8-11,15H2;2-5H,6-9,13H2,1H3;3H,2H2,1H3;1H3;/q;;;;;;;;-1;
InChIKeyVLYBJHYJPUIJGA-UHFFFAOYSA-N
XLogP19.41
TPSA771.19 Ų
H-Bond Donors14
H-Bond Acceptors50
Rotatable Bonds44
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003173.67
LogP ≤ 519.41
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-3-ylmethylamino)pyrimidine-5-carboxamide;2-[3-(aminomethyl)piperidin-1-yl]-1-phenylethanone;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;benzyl 3-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;carbanide;2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;palladium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-3-ylmethylamino)pyrimidine-5-carboxamide;2-[3-(aminomethyl)piperidin-1-yl]-1-phenylethanone;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;benzyl 3-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;carbanide;2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;palladium?
The IUPAC name of 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-3-ylmethylamino)pyrimidine-5-carboxamide;2-[3-(aminomethyl)piperidin-1-yl]-1-phenylethanone;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;benzyl 3-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;carbanide;2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;palladium (CID 158858503) is 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-3-ylmethylamino)pyrimidine-5-carboxamide;2-[3-(aminomethyl)piperidin-1-yl]-1-phenylethanone;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;benzyl 3-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;carbanide;2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;palladium.
What is the SMILES notation for 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-3-ylmethylamino)pyrimidine-5-carboxamide;2-[3-(aminomethyl)piperidin-1-yl]-1-phenylethanone;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;benzyl 3-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;carbanide;2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;palladium?
The canonical SMILES for 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-3-ylmethylamino)pyrimidine-5-carboxamide;2-[3-(aminomethyl)piperidin-1-yl]-1-phenylethanone;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;benzyl 3-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;carbanide;2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;palladium is CC(=O)N1CCN(c2ccc(N)cc2)CC1.CC(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NCC4CCCN(C(=O)OCc5ccccc5)C4)n3)cc2)CC1.CC(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NCC4CCCNC4)n3)cc2)CC1.CCOC(=O)c1cnc(Cl)nc1Cl.CCOC(=O)c1cnc(Cl)nc1NCC1CCCN(C(=O)OCc2ccccc2)C1.NC(=O)c1cnc(On2nnc3ccccc32)nc1NCC1CCCN(C(=O)OCc2ccccc2)C1.NCC1CCCN(CC(=O)c2ccccc2)C1.O=C(O)c1cnc(Cl)nc1NCC1CCCN(C(=O)OCc2ccccc2)C1.[CH3-].[Pd].
What is the InChIKey of 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-3-ylmethylamino)pyrimidine-5-carboxamide;2-[3-(aminomethyl)piperidin-1-yl]-1-phenylethanone;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;benzyl 3-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;carbanide;2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;palladium?
The InChIKey is VLYBJHYJPUIJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N8O4.C25H26N8O4.C23H32N8O2.C21H25ClN4O4.C19H21ClN4O4.C14H20N2O.C12H17N3O.C7H6Cl2N2O2.CH3.Pd/c1-22(40)37-14-16-38(17-15-37)26-11-9-25(10-12-26)35-30-34-19-27(28(32)41)29(36-30)33-18-24-8-5-13-39(20-24)31(42)43-21-23-6-3-2-4-7-23;26-22(34)19-14-28-24(37-33-21-11-5-4-10-20(21)30-31-33)29-23(19)27-13-18-9-6-12-32(15-18)25(35)36-16-17-7-2-1-3-8-17;1-16(32)30-9-11-31(12-10-30)19-6-4-18(5-7-19)28-23-27-15-20(21(24)33)22(29-23)26-14-17-3-2-8-25-13-17;1-2-29-19(27)17-12-24-20(22)25-18(17)23-11-16-9-6-10-26(13-16)21(28)30-14-15-7-4-3-5-8-15;20-18-22-10-15(17(25)26)16(23-18)21-9-14-7-4-8-24(11-14)19(27)28-12-13-5-2-1-3-6-13;15-9-12-5-4-8-16(10-12)11-14(17)13-6-2-1-3-7-13;1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12;1-2-13-6(12)4-3-10-7(9)11-5(4)8;;/h2-4,6-7,9-12,19,24H,5,8,13-18,20-21H2,1H3,(H2,32,41)(H2,33,34,35,36);1-5,7-8,10-11,14,18H,6,9,12-13,15-16H2,(H2,26,34)(H,27,28,29);4-7,15,17,25H,2-3,8-14H2,1H3,(H2,24,33)(H2,26,27,28,29);3-5,7-8,12,16H,2,6,9-11,13-14H2,1H3,(H,23,24,25);1-3,5-6,10,14H,4,7-9,11-12H2,(H,25,26)(H,21,22,23);1-3,6-7,12H,4-5,8-11,15H2;2-5H,6-9,13H2,1H3;3H,2H2,1H3;1H3;/q;;;;;;;;-1;.
What are the key properties of 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-3-ylmethylamino)pyrimidine-5-carboxamide;2-[3-(aminomethyl)piperidin-1-yl]-1-phenylethanone;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;benzyl 3-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;carbanide;2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;palladium?
2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-3-ylmethylamino)pyrimidine-5-carboxamide;2-[3-(aminomethyl)piperidin-1-yl]-1-phenylethanone;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;benzyl 3-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;carbanide;2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;palladium has a molecular weight of 3173.67 g/mol, XLogP of 19.41, 44 rotatable bonds, 14 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-3-ylmethylamino)pyrimidine-5-carboxamide;2-[3-(aminomethyl)piperidin-1-yl]-1-phenylethanone;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;benzyl 3-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;benzyl 3-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;carbanide;2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[(1-phenylmethoxycarbonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;palladium is sourced from PubChem (CID 158858503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).