N-[4-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;N-[3-[5-fluoro-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;(E)-1-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;(E)-1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one

C107H90F10N24O10 — CID 158741854

IUPACN-[4-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;N-[3-[5-fluoro-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;(E)-1-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;(E)-1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one
SMILESC#CCOc1cccc(Nc2ncc(F)c(Oc3cccc(NC(=O)C=C)c3)n2)c1.C/C=C/C(=O)c1cccc(Nc2nc(Nc3cccc(OC)c3)ncc2C(F)(F)F)c1.C/C=C/C(=O)c1cccc(Nc2nc(Nc3cncc(OC)c3)ncc2C(F)(F)F)c1.C=CC(=O)Nc1ccc(Nc2nc(Nc3ccccc3)ncc2C#N)cc1.COc1cncc(Nc2ncc(C(F)(F)F)c(Nc3cccc(C(=O)C=C(C)C)c3)n2)c1
InChIInChI=1S/C22H20F3N5O2.C22H19F3N4O2.C22H17FN4O3.C21H18F3N5O2.C20H16N6O/c1-13(2)7-19(31)14-5-4-6-15(8-14)28-20-18(22(23,24)25)12-27-21(30-20)29-16-9-17(32-3)11-26-10-16;1-3-6-19(30)14-7-4-8-15(11-14)27-20-18(22(23,24)25)13-26-21(29-20)28-16-9-5-10-17(12-16)31-2;1-3-11-29-17-9-5-8-16(12-17)26-22-24-14-19(23)21(27-22)30-18-10-6-7-15(13-18)25-20(28)4-2;1-3-5-18(30)13-6-4-7-14(8-13)27-19-17(21(22,23)24)12-26-20(29-19)28-15-9-16(31-2)11-25-10-15;1-2-18(27)23-16-8-10-17(11-9-16)24-19-14(12-21)13-22-20(26-19)25-15-6-4-3-5-7-15/h4-12H,1-3H3,(H2,27,28,29,30);3-13H,1-2H3,(H2,26,27,28,29);1,4-10,12-14H,2,11H2,(H,25,28)(H,24,26,27);3-12H,1-2H3,(H2,26,27,28,29);2-11,13H,1H2,(H,23,27)(H2,22,24,25,26)/b;6-3+;;5-3+;
InChIKeyIMJVUFZJUSWRQQ-OXFYITIGSA-N
MW2062.03 g/mol
LogP24.68
Rot. Bonds35

About N-[4-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;N-[3-[5-fluoro-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;(E)-1-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;(E)-1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one

N-[4-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;N-[3-[5-fluoro-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;(E)-1-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;(E)-1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one (PubChem CID 158741854) has the molecular formula C107H90F10N24O10 and a molecular weight of 2062.03 g/mol. Its IUPAC name is N-[4-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;N-[3-[5-fluoro-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;(E)-1-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;(E)-1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one.

Molecular Properties

Compound NameN-[4-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;N-[3-[5-fluoro-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;(E)-1-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;(E)-1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one
PubChem CID158741854
Molecular FormulaC107H90F10N24O10
Molecular Weight2062.03 g/mol
Exact Mass2060.71
IUPAC NameN-[4-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;N-[3-[5-fluoro-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;(E)-1-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;(E)-1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one
SMILESC#CCOc1cccc(Nc2ncc(F)c(Oc3cccc(NC(=O)C=C)c3)n2)c1.C/C=C/C(=O)c1cccc(Nc2nc(Nc3cccc(OC)c3)ncc2C(F)(F)F)c1.C/C=C/C(=O)c1cccc(Nc2nc(Nc3cncc(OC)c3)ncc2C(F)(F)F)c1.C=CC(=O)Nc1ccc(Nc2nc(Nc3ccccc3)ncc2C#N)cc1.COc1cncc(Nc2ncc(C(F)(F)F)c(Nc3cccc(C(=O)C=C(C)C)c3)n2)c1
InChIInChI=1S/C22H20F3N5O2.C22H19F3N4O2.C22H17FN4O3.C21H18F3N5O2.C20H16N6O/c1-13(2)7-19(31)14-5-4-6-15(8-14)28-20-18(22(23,24)25)12-27-21(30-20)29-16-9-17(32-3)11-26-10-16;1-3-6-19(30)14-7-4-8-15(11-14)27-20-18(22(23,24)25)13-26-21(29-20)28-16-9-5-10-17(12-16)31-2;1-3-11-29-17-9-5-8-16(12-17)26-22-24-14-19(23)21(27-22)30-18-10-6-7-15(13-18)25-20(28)4-2;1-3-5-18(30)13-6-4-7-14(8-13)27-19-17(21(22,23)24)12-26-20(29-19)28-15-9-16(31-2)11-25-10-15;1-2-18(27)23-16-8-10-17(11-9-16)24-19-14(12-21)13-22-20(26-19)25-15-6-4-3-5-7-15/h4-12H,1-3H3,(H2,27,28,29,30);3-13H,1-2H3,(H2,26,27,28,29);1,4-10,12-14H,2,11H2,(H,25,28)(H,24,26,27);3-12H,1-2H3,(H2,26,27,28,29);2-11,13H,1H2,(H,23,27)(H2,22,24,25,26)/b;6-3+;;5-3+;
InChIKeyIMJVUFZJUSWRQQ-OXFYITIGSA-N
XLogP24.68
TPSA442.30 Ų
H-Bond Donors11
H-Bond Acceptors32
Rotatable Bonds35
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002062.03
LogP ≤ 524.68
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze N-[4-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;N-[3-[5-fluoro-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;(E)-1-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;(E)-1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one with MolForge

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Related Compounds

N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methoxybenzamide
CID 123258970
6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
CID 123268019
N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-(1,1-difluoroethyl)benzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-ethynylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide
CID 123452394
3-[5-[3-cyano-5-[(3-fluorobenzoyl)amino]phenoxy]pyrimidin-1-ium-1-yl]-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-5-(trifluoromethoxy)benzamide
CID 123467811
N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide
CID 123545878
3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide
CID 123611632
3-ethynyl-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide
CID 123641473
3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-ethynylbenzamide;3-ethynyl-5-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide
CID 123646210
3-ethynyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;6-methyl-N-(6-pyrimidin-5-yloxy-2-pyridinyl)pyridine-2-carboxamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide
CID 123652627
N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-ethynylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide;3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide
CID 123731077
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methoxybenzamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
CID 123765627
N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;bis(N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide);3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide
CID 123774014

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;N-[3-[5-fluoro-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;(E)-1-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;(E)-1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one?
The IUPAC name of N-[4-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;N-[3-[5-fluoro-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;(E)-1-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;(E)-1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one (CID 158741854) is N-[4-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;N-[3-[5-fluoro-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;(E)-1-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;(E)-1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one.
What is the SMILES notation for N-[4-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;N-[3-[5-fluoro-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;(E)-1-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;(E)-1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one?
The canonical SMILES for N-[4-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;N-[3-[5-fluoro-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;(E)-1-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;(E)-1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one is C#CCOc1cccc(Nc2ncc(F)c(Oc3cccc(NC(=O)C=C)c3)n2)c1.C/C=C/C(=O)c1cccc(Nc2nc(Nc3cccc(OC)c3)ncc2C(F)(F)F)c1.C/C=C/C(=O)c1cccc(Nc2nc(Nc3cncc(OC)c3)ncc2C(F)(F)F)c1.C=CC(=O)Nc1ccc(Nc2nc(Nc3ccccc3)ncc2C#N)cc1.COc1cncc(Nc2ncc(C(F)(F)F)c(Nc3cccc(C(=O)C=C(C)C)c3)n2)c1.
What is the InChIKey of N-[4-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;N-[3-[5-fluoro-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;(E)-1-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;(E)-1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one?
The InChIKey is IMJVUFZJUSWRQQ-OXFYITIGSA-N. The full InChI is InChI=1S/C22H20F3N5O2.C22H19F3N4O2.C22H17FN4O3.C21H18F3N5O2.C20H16N6O/c1-13(2)7-19(31)14-5-4-6-15(8-14)28-20-18(22(23,24)25)12-27-21(30-20)29-16-9-17(32-3)11-26-10-16;1-3-6-19(30)14-7-4-8-15(11-14)27-20-18(22(23,24)25)13-26-21(29-20)28-16-9-5-10-17(12-16)31-2;1-3-11-29-17-9-5-8-16(12-17)26-22-24-14-19(23)21(27-22)30-18-10-6-7-15(13-18)25-20(28)4-2;1-3-5-18(30)13-6-4-7-14(8-13)27-19-17(21(22,23)24)12-26-20(29-19)28-15-9-16(31-2)11-25-10-15;1-2-18(27)23-16-8-10-17(11-9-16)24-19-14(12-21)13-22-20(26-19)25-15-6-4-3-5-7-15/h4-12H,1-3H3,(H2,27,28,29,30);3-13H,1-2H3,(H2,26,27,28,29);1,4-10,12-14H,2,11H2,(H,25,28)(H,24,26,27);3-12H,1-2H3,(H2,26,27,28,29);2-11,13H,1H2,(H,23,27)(H2,22,24,25,26)/b;6-3+;;5-3+;.
What are the key properties of N-[4-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;N-[3-[5-fluoro-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;(E)-1-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;(E)-1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one?
N-[4-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;N-[3-[5-fluoro-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;(E)-1-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;(E)-1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one has a molecular weight of 2062.03 g/mol, XLogP of 24.68, 35 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-anilino-5-cyanopyrimidin-4-yl)amino]phenyl]prop-2-enamide;N-[3-[5-fluoro-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]oxyphenyl]prop-2-enamide;(E)-1-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;(E)-1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;1-[3-[[2-[(5-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one is sourced from PubChem (CID 158741854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).