2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-4-ylmethylamino)pyrimidine-5-carboxamide;[4-(aminomethyl)piperidin-1-yl]-methylborinic acid;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;tert-butyl 4-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate

C133H190BCl4N39O22 — CID 161098034

IUPAC2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-4-ylmethylamino)pyrimidine-5-carboxamide;[4-(aminomethyl)piperidin-1-yl]-methylborinic acid;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;tert-butyl 4-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate
SMILESCB(O)N1CCC(CN)CC1.CC(=O)N1CCN(c2ccc(N)cc2)CC1.CC(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NCC4CCN(C(=O)OC(C)(C)C)CC4)n3)cc2)CC1.CC(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NCC4CCNCC4)n3)cc2)CC1.CC(C)(C)OC(=O)N1CCC(CNc2nc(Cl)ncc2C(=O)O)CC1.CC(C)(C)OC(=O)N1CCC(CNc2nc(On3nnc4ccccc43)ncc2C(N)=O)CC1.CCOC(=O)c1cnc(Cl)nc1Cl.CCOC(=O)c1cnc(Cl)nc1NCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C28H40N8O4.C23H32N8O2.C22H28N8O4.C18H27ClN4O4.C16H23ClN4O4.C12H17N3O.C7H17BN2O.C7H6Cl2N2O2/c1-19(37)34-13-15-35(16-14-34)22-7-5-21(6-8-22)32-26-31-18-23(24(29)38)25(33-26)30-17-20-9-11-36(12-10-20)27(39)40-28(2,3)4;1-16(32)30-10-12-31(13-11-30)19-4-2-18(3-5-19)28-23-27-15-20(21(24)33)22(29-23)26-14-17-6-8-25-9-7-17;1-22(2,3)33-21(32)29-10-8-14(9-11-29)12-24-19-15(18(23)31)13-25-20(26-19)34-30-17-7-5-4-6-16(17)27-28-30;1-5-26-15(24)13-11-21-16(19)22-14(13)20-10-12-6-8-23(9-7-12)17(25)27-18(2,3)4;1-16(2,3)25-15(24)21-6-4-10(5-7-21)8-18-12-11(13(22)23)9-19-14(17)20-12;1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12;1-8(11)10-4-2-7(6-9)3-5-10;1-2-13-6(12)4-3-10-7(9)11-5(4)8/h5-8,18,20H,9-17H2,1-4H3,(H2,29,38)(H2,30,31,32,33);2-5,15,17,25H,6-14H2,1H3,(H2,24,33)(H2,26,27,28,29);4-7,13-14H,8-12H2,1-3H3,(H2,23,31)(H,24,25,26);11-12H,5-10H2,1-4H3,(H,20,21,22);9-10H,4-8H2,1-3H3,(H,22,23)(H,18,19,20);2-5H,6-9,13H2,1H3;7,11H,2-6,9H2,1H3;3H,2H2,1H3
InChIKeyUIBALNVXLXPSCU-UHFFFAOYSA-N
MW2839.86 g/mol
LogP15.58
Rot. Bonds34

About 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-4-ylmethylamino)pyrimidine-5-carboxamide;[4-(aminomethyl)piperidin-1-yl]-methylborinic acid;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;tert-butyl 4-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate

2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-4-ylmethylamino)pyrimidine-5-carboxamide;[4-(aminomethyl)piperidin-1-yl]-methylborinic acid;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;tert-butyl 4-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate (PubChem CID 161098034) has the molecular formula C133H190BCl4N39O22 and a molecular weight of 2839.86 g/mol. Its IUPAC name is 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-4-ylmethylamino)pyrimidine-5-carboxamide;[4-(aminomethyl)piperidin-1-yl]-methylborinic acid;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;tert-butyl 4-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate.

Molecular Properties

Compound Name2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-4-ylmethylamino)pyrimidine-5-carboxamide;[4-(aminomethyl)piperidin-1-yl]-methylborinic acid;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;tert-butyl 4-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate
PubChem CID161098034
Molecular FormulaC133H190BCl4N39O22
Molecular Weight2839.86 g/mol
Exact Mass2836.38
IUPAC Name2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-4-ylmethylamino)pyrimidine-5-carboxamide;[4-(aminomethyl)piperidin-1-yl]-methylborinic acid;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;tert-butyl 4-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate
SMILESCB(O)N1CCC(CN)CC1.CC(=O)N1CCN(c2ccc(N)cc2)CC1.CC(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NCC4CCN(C(=O)OC(C)(C)C)CC4)n3)cc2)CC1.CC(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NCC4CCNCC4)n3)cc2)CC1.CC(C)(C)OC(=O)N1CCC(CNc2nc(Cl)ncc2C(=O)O)CC1.CC(C)(C)OC(=O)N1CCC(CNc2nc(On3nnc4ccccc43)ncc2C(N)=O)CC1.CCOC(=O)c1cnc(Cl)nc1Cl.CCOC(=O)c1cnc(Cl)nc1NCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C28H40N8O4.C23H32N8O2.C22H28N8O4.C18H27ClN4O4.C16H23ClN4O4.C12H17N3O.C7H17BN2O.C7H6Cl2N2O2/c1-19(37)34-13-15-35(16-14-34)22-7-5-21(6-8-22)32-26-31-18-23(24(29)38)25(33-26)30-17-20-9-11-36(12-10-20)27(39)40-28(2,3)4;1-16(32)30-10-12-31(13-11-30)19-4-2-18(3-5-19)28-23-27-15-20(21(24)33)22(29-23)26-14-17-6-8-25-9-7-17;1-22(2,3)33-21(32)29-10-8-14(9-11-29)12-24-19-15(18(23)31)13-25-20(26-19)34-30-17-7-5-4-6-16(17)27-28-30;1-5-26-15(24)13-11-21-16(19)22-14(13)20-10-12-6-8-23(9-7-12)17(25)27-18(2,3)4;1-16(2,3)25-15(24)21-6-4-10(5-7-21)8-18-12-11(13(22)23)9-19-14(17)20-12;1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12;1-8(11)10-4-2-7(6-9)3-5-10;1-2-13-6(12)4-3-10-7(9)11-5(4)8/h5-8,18,20H,9-17H2,1-4H3,(H2,29,38)(H2,30,31,32,33);2-5,15,17,25H,6-14H2,1H3,(H2,24,33)(H2,26,27,28,29);4-7,13-14H,8-12H2,1-3H3,(H2,23,31)(H,24,25,26);11-12H,5-10H2,1-4H3,(H,20,21,22);9-10H,4-8H2,1-3H3,(H,22,23)(H,18,19,20);2-5H,6-9,13H2,1H3;7,11H,2-6,9H2,1H3;3H,2H2,1H3
InChIKeyUIBALNVXLXPSCU-UHFFFAOYSA-N
XLogP15.58
TPSA774.35 Ų
H-Bond Donors15
H-Bond Acceptors50
Rotatable Bonds34
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002839.86
LogP ≤ 515.58
H-Bond Donors ≤ 515
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': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-4-ylmethylamino)pyrimidine-5-carboxamide;[4-(aminomethyl)piperidin-1-yl]-methylborinic acid;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;tert-butyl 4-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-4-ylmethylamino)pyrimidine-5-carboxamide;[4-(aminomethyl)piperidin-1-yl]-methylborinic acid;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;tert-butyl 4-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate?
The IUPAC name of 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-4-ylmethylamino)pyrimidine-5-carboxamide;[4-(aminomethyl)piperidin-1-yl]-methylborinic acid;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;tert-butyl 4-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate (CID 161098034) is 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-4-ylmethylamino)pyrimidine-5-carboxamide;[4-(aminomethyl)piperidin-1-yl]-methylborinic acid;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;tert-butyl 4-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate.
What is the SMILES notation for 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-4-ylmethylamino)pyrimidine-5-carboxamide;[4-(aminomethyl)piperidin-1-yl]-methylborinic acid;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;tert-butyl 4-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate?
The canonical SMILES for 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-4-ylmethylamino)pyrimidine-5-carboxamide;[4-(aminomethyl)piperidin-1-yl]-methylborinic acid;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;tert-butyl 4-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate is CB(O)N1CCC(CN)CC1.CC(=O)N1CCN(c2ccc(N)cc2)CC1.CC(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NCC4CCN(C(=O)OC(C)(C)C)CC4)n3)cc2)CC1.CC(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NCC4CCNCC4)n3)cc2)CC1.CC(C)(C)OC(=O)N1CCC(CNc2nc(Cl)ncc2C(=O)O)CC1.CC(C)(C)OC(=O)N1CCC(CNc2nc(On3nnc4ccccc43)ncc2C(N)=O)CC1.CCOC(=O)c1cnc(Cl)nc1Cl.CCOC(=O)c1cnc(Cl)nc1NCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-4-ylmethylamino)pyrimidine-5-carboxamide;[4-(aminomethyl)piperidin-1-yl]-methylborinic acid;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;tert-butyl 4-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate?
The InChIKey is UIBALNVXLXPSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N8O4.C23H32N8O2.C22H28N8O4.C18H27ClN4O4.C16H23ClN4O4.C12H17N3O.C7H17BN2O.C7H6Cl2N2O2/c1-19(37)34-13-15-35(16-14-34)22-7-5-21(6-8-22)32-26-31-18-23(24(29)38)25(33-26)30-17-20-9-11-36(12-10-20)27(39)40-28(2,3)4;1-16(32)30-10-12-31(13-11-30)19-4-2-18(3-5-19)28-23-27-15-20(21(24)33)22(29-23)26-14-17-6-8-25-9-7-17;1-22(2,3)33-21(32)29-10-8-14(9-11-29)12-24-19-15(18(23)31)13-25-20(26-19)34-30-17-7-5-4-6-16(17)27-28-30;1-5-26-15(24)13-11-21-16(19)22-14(13)20-10-12-6-8-23(9-7-12)17(25)27-18(2,3)4;1-16(2,3)25-15(24)21-6-4-10(5-7-21)8-18-12-11(13(22)23)9-19-14(17)20-12;1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12;1-8(11)10-4-2-7(6-9)3-5-10;1-2-13-6(12)4-3-10-7(9)11-5(4)8/h5-8,18,20H,9-17H2,1-4H3,(H2,29,38)(H2,30,31,32,33);2-5,15,17,25H,6-14H2,1H3,(H2,24,33)(H2,26,27,28,29);4-7,13-14H,8-12H2,1-3H3,(H2,23,31)(H,24,25,26);11-12H,5-10H2,1-4H3,(H,20,21,22);9-10H,4-8H2,1-3H3,(H,22,23)(H,18,19,20);2-5H,6-9,13H2,1H3;7,11H,2-6,9H2,1H3;3H,2H2,1H3.
What are the key properties of 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-4-ylmethylamino)pyrimidine-5-carboxamide;[4-(aminomethyl)piperidin-1-yl]-methylborinic acid;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;tert-butyl 4-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate?
2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(piperidin-4-ylmethylamino)pyrimidine-5-carboxamide;[4-(aminomethyl)piperidin-1-yl]-methylborinic acid;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;tert-butyl 4-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate has a molecular weight of 2839.86 g/mol, XLogP of 15.58, 34 rotatable bonds, 15 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-4-ylmethylamino)pyrimidine-5-carboxamide;[4-(aminomethyl)piperidin-1-yl]-methylborinic acid;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;tert-butyl 4-[[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-[[[2-(benzotriazol-1-yloxy)-5-carbamoylpyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate is sourced from PubChem (CID 161098034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).