1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-N-[3-[[5-methyl-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;N-[3-[[2-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-[[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide

C181H186F5N45O19S — CID 159223651

About 1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-N-[3-[[5-methyl-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;N-[3-[[2-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-[[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide

1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-N-[3-[[5-methyl-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;N-[3-[[2-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-[[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide (PubChem CID 159223651) has the molecular formula C181H186F5N45O19S and a molecular weight of 3422.83 g/mol. Its IUPAC name is 1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-N-[3-[[5-methyl-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;N-[3-[[2-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-[[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: 1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-N-[3-[[5-methyl-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;N-[3-[[2-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-[[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
• PubChem CID: 159223651
• Molecular Formula: C181H186F5N45O19S
• Molecular Weight: 3422.83 g/mol
• Exact Mass: 3420.46
• IUPAC Name: 1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-N-[3-[[5-methyl-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;N-[3-[[2-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-[[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
• SMILES: C#CCOc1cccc(Nc2ncc(C)c(Nc3cccc(NC(=O)/C=C/CN(C)C)c3)n2)c1.C=C(C#N)C(O)c1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1.C=CC(=O)N1CCC(Nc2nc(Nc3ccccc3)ncc2C)CC1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCS(=O)(=O)CC4)nc3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCC(C)(C)O)cc3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCN4CCCC4=O)nc3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(O[C@@H]4CCOC4)nc3)ncc2F)c1.CC(C)=CC(=O)c1ccc(Nc2nc(Nc3ccccc3)ncc2C)cc1
• InChI: InChI=1S/C26H28N6O2.C24H24FN7O3.C23H22FN5O3.C23H24FN5O3.C22H22FN7O3S.C22H21FN6O3.C22H22N4O.C19H23N5O/c1-5-15-34-23-12-7-11-22(17-23)30-26-27-18-19(2)25(31-26)29-21-10-6-9-20(16-21)28-24(33)13-8-14-32(3)4;1-2-20(33)28-16-5-3-6-17(13-16)29-23-19(25)15-27-24(31-23)30-18-8-9-21(26-14-18)35-12-11-32-10-4-7-22(32)34;1-15(13-25)21(30)16-4-3-5-18(12-16)27-22-20(24)14-26-23(29-22)28-17-6-8-19(9-7-17)32-11-10-31-2;1-4-20(30)26-16-6-5-7-17(12-16)27-21-19(24)13-25-22(29-21)28-15-8-10-18(11-9-15)32-14-23(2,3)31;1-2-20(31)26-15-4-3-5-16(12-15)27-21-18(23)14-25-22(29-21)28-17-6-7-19(24-13-17)30-8-10-34(32,33)11-9-30;1-2-19(30)26-14-4-3-5-15(10-14)27-21-18(23)12-25-22(29-21)28-16-6-7-20(24-11-16)32-17-8-9-31-13-17;1-15(2)13-20(27)17-9-11-19(12-10-17)24-21-16(3)14-23-22(26-21)25-18-7-5-4-6-8-18;1-3-17(25)24-11-9-16(10-12-24)21-18-14(2)13-20-19(23-18)22-15-7-5-4-6-8-15/h1,6-13,16-18H,14-15H2,2-4H3,(H,28,33)(H2,27,29,30,31);2-3,5-6,8-9,13-15H,1,4,7,10-12H2,(H,28,33)(H2,27,29,30,31);3-9,12,14,21,30H,1,10-11H2,2H3,(H2,26,27,28,29);4-13,31H,1,14H2,2-3H3,(H,26,30)(H2,25,27,28,29);2-7,12-14H,1,8-11H2,(H,26,31)(H2,25,27,28,29);2-7,10-12,17H,1,8-9,13H2,(H,26,30)(H2,25,27,28,29);4-14H,1-3H3,(H2,23,24,25,26);3-8,13,16H,1,9-12H2,2H3,(H2,20,21,22,23)/b13-8+;;;;;;;/t;;;;;17-;;/m.....1../s1
• InChIKey: KRZWUSQCNKMLSE-LTRKJHJCSA-N
• XLogP: 31.77
• TPSA: 810.06 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 57
• Rotatable Bonds: 65
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3422.83
LogP ≤ 5	31.77
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	57

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-N-[3-[[5-methyl-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;N-[3-[[2-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-[[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

The IUPAC name of 1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-N-[3-[[5-methyl-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;N-[3-[[2-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-[[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide (CID 159223651) is 1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-N-[3-[[5-methyl-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;N-[3-[[2-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-[[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide.

What is the SMILES notation for 1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-N-[3-[[5-methyl-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;N-[3-[[2-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-[[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

The canonical SMILES for 1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-N-[3-[[5-methyl-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;N-[3-[[2-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-[[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide is C#CCOc1cccc(Nc2ncc(C)c(Nc3cccc(NC(=O)/C=C/CN(C)C)c3)n2)c1.C=C(C#N)C(O)c1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1.C=CC(=O)N1CCC(Nc2nc(Nc3ccccc3)ncc2C)CC1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCS(=O)(=O)CC4)nc3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCC(C)(C)O)cc3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCN4CCCC4=O)nc3)ncc2F)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(O[C@@H]4CCOC4)nc3)ncc2F)c1.CC(C)=CC(=O)c1ccc(Nc2nc(Nc3ccccc3)ncc2C)cc1.

What is the InChIKey of 1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-N-[3-[[5-methyl-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;N-[3-[[2-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-[[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

The InChIKey is KRZWUSQCNKMLSE-LTRKJHJCSA-N. The full InChI is InChI=1S/C26H28N6O2.C24H24FN7O3.C23H22FN5O3.C23H24FN5O3.C22H22FN7O3S.C22H21FN6O3.C22H22N4O.C19H23N5O/c1-5-15-34-23-12-7-11-22(17-23)30-26-27-18-19(2)25(31-26)29-21-10-6-9-20(16-21)28-24(33)13-8-14-32(3)4;1-2-20(33)28-16-5-3-6-17(13-16)29-23-19(25)15-27-24(31-23)30-18-8-9-21(26-14-18)35-12-11-32-10-4-7-22(32)34;1-15(13-25)21(30)16-4-3-5-18(12-16)27-22-20(24)14-26-23(29-22)28-17-6-8-19(9-7-17)32-11-10-31-2;1-4-20(30)26-16-6-5-7-17(12-16)27-21-19(24)13-25-22(29-21)28-15-8-10-18(11-9-15)32-14-23(2,3)31;1-2-20(31)26-15-4-3-5-16(12-15)27-21-18(23)14-25-22(29-21)28-17-6-7-19(24-13-17)30-8-10-34(32,33)11-9-30;1-2-19(30)26-14-4-3-5-15(10-14)27-21-18(23)12-25-22(29-21)28-16-6-7-20(24-11-16)32-17-8-9-31-13-17;1-15(2)13-20(27)17-9-11-19(12-10-17)24-21-16(3)14-23-22(26-21)25-18-7-5-4-6-8-18;1-3-17(25)24-11-9-16(10-12-24)21-18-14(2)13-20-19(23-18)22-15-7-5-4-6-8-15/h1,6-13,16-18H,14-15H2,2-4H3,(H,28,33)(H2,27,29,30,31);2-3,5-6,8-9,13-15H,1,4,7,10-12H2,(H,28,33)(H2,27,29,30,31);3-9,12,14,21,30H,1,10-11H2,2H3,(H2,26,27,28,29);4-13,31H,1,14H2,2-3H3,(H,26,30)(H2,25,27,28,29);2-7,12-14H,1,8-11H2,(H,26,31)(H2,25,27,28,29);2-7,10-12,17H,1,8-9,13H2,(H,26,30)(H2,25,27,28,29);4-14H,1-3H3,(H2,23,24,25,26);3-8,13,16H,1,9-12H2,2H3,(H2,20,21,22,23)/b13-8+;;;;;;;/t;;;;;17-;;/m.....1../s1.

What are the key properties of 1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-N-[3-[[5-methyl-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;N-[3-[[2-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-[[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-N-[3-[[5-methyl-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;N-[3-[[2-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-[[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide has a molecular weight of 3422.83 g/mol, XLogP of 31.77, 65 rotatable bonds, 23 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one;(E)-4-(dimethylamino)-N-[3-[[5-methyl-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-enamide;N-[3-[[2-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]amino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-(2-hydroxy-2-methylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;2-[[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-hydroxymethyl]prop-2-enenitrile;N-[3-[[5-fluoro-2-[[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[[6-[2-(2-oxopyrrolidin-1-yl)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 159223651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).