5-fluoro-N-methyl-N-[(E)-[5-[3-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(4-methylpiperazin-2-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperazin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine

C105H117F16N35O5 — CID 172939470

IUPAC5-fluoro-N-methyl-N-[(E)-[5-[3-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(4-methylpiperazin-2-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperazin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCN1CCN(CCc2cc(Nc3ccc(/C=N/N(C)c4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)CC1.CN1CCNC(c2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2C(F)(F)F)C1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(C4CNCCN4)c(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(C4CNCCO4)c(C(F)(F)F)c3)cn2)nc1N1CCOCC1
InChIInChI=1S/C29H35F4N9O.C26H29F4N9O.C25H27F4N9O.C25H26F4N8O2/c1-39-7-9-41(10-8-39)6-5-21-15-22(29(31,32)33)17-25(16-21)37-24-4-3-23(34-18-24)19-36-40(2)28-35-20-26(30)27(38-28)42-11-13-43-14-12-42;1-38-7-6-31-23(16-38)20-5-4-17(12-21(20)26(28,29)30)35-19-3-2-18(32-13-19)14-34-37-25-33-15-22(27)24(36-25)39-8-10-40-11-9-39;26-21-14-33-24(36-23(21)38-7-9-39-10-8-38)37-34-13-17-1-2-18(12-32-17)35-16-3-4-19(20(11-16)25(27,28)29)22-15-30-5-6-31-22;26-21-14-32-24(35-23(21)37-6-9-38-10-7-37)36-33-13-17-1-2-18(12-31-17)34-16-3-4-19(20(11-16)25(27,28)29)22-15-30-5-8-39-22/h3-4,15-20,37H,5-14H2,1-2H3;2-5,12-15,23,31,35H,6-11,16H2,1H3,(H,33,36,37);1-4,11-14,22,30-31,35H,5-10,15H2,(H,33,36,37);1-4,11-14,22,30,34H,5-10,15H2,(H,32,35,36)/b36-19+;34-14+;34-13+;33-13+
InChIKeyDGLWIRNPVCLCCW-IWMFXALUSA-N
MW2253.30 g/mol
LogP14.51
Rot. Bonds30

About 5-fluoro-N-methyl-N-[(E)-[5-[3-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(4-methylpiperazin-2-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperazin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine

5-fluoro-N-methyl-N-[(E)-[5-[3-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(4-methylpiperazin-2-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperazin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (PubChem CID 172939470) has the molecular formula C105H117F16N35O5 and a molecular weight of 2253.30 g/mol. Its IUPAC name is 5-fluoro-N-methyl-N-[(E)-[5-[3-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(4-methylpiperazin-2-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperazin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-N-[(E)-[5-[3-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(4-methylpiperazin-2-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperazin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
PubChem CID172939470
Molecular FormulaC105H117F16N35O5
Molecular Weight2253.30 g/mol
Exact Mass2251.97
IUPAC Name5-fluoro-N-methyl-N-[(E)-[5-[3-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(4-methylpiperazin-2-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperazin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCN1CCN(CCc2cc(Nc3ccc(/C=N/N(C)c4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)CC1.CN1CCNC(c2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2C(F)(F)F)C1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(C4CNCCN4)c(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(C4CNCCO4)c(C(F)(F)F)c3)cn2)nc1N1CCOCC1
InChIInChI=1S/C29H35F4N9O.C26H29F4N9O.C25H27F4N9O.C25H26F4N8O2/c1-39-7-9-41(10-8-39)6-5-21-15-22(29(31,32)33)17-25(16-21)37-24-4-3-23(34-18-24)19-36-40(2)28-35-20-26(30)27(38-28)42-11-13-43-14-12-42;1-38-7-6-31-23(16-38)20-5-4-17(12-21(20)26(28,29)30)35-19-3-2-18(32-13-19)14-34-37-25-33-15-22(27)24(36-25)39-8-10-40-11-9-39;26-21-14-33-24(36-23(21)38-7-9-39-10-8-38)37-34-13-17-1-2-18(12-32-17)35-16-3-4-19(20(11-16)25(27,28)29)22-15-30-5-6-31-22;26-21-14-32-24(35-23(21)37-6-9-38-10-7-37)36-33-13-17-1-2-18(12-31-17)34-16-3-4-19(20(11-16)25(27,28)29)22-15-30-5-8-39-22/h3-4,15-20,37H,5-14H2,1-2H3;2-5,12-15,23,31,35H,6-11,16H2,1H3,(H,33,36,37);1-4,11-14,22,30-31,35H,5-10,15H2,(H,33,36,37);1-4,11-14,22,30,34H,5-10,15H2,(H,32,35,36)/b36-19+;34-14+;34-13+;33-13+
InChIKeyDGLWIRNPVCLCCW-IWMFXALUSA-N
XLogP14.51
TPSA408.52 Ų
H-Bond Donors11
H-Bond Acceptors40
Rotatable Bonds30
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002253.30
LogP ≤ 514.51
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-fluoro-N-methyl-N-[(E)-[5-[3-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(4-methylpiperazin-2-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperazin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine with MolForge

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Related Compounds

5-fluoro-N-[(E)-[5-[4-(4-methylpiperazin-2-yl)-3-(trifluoromethyl)anilino]pyridin-2-yl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
CID 16739447
5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-pyrimidin-5-yl-3-(trifluoromethyl)anilino]pyridin-2-yl]methylideneamino]pyrimidin-2-amine
CID 58877154
5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]pyridin-2-yl]methylideneamino]pyrimidin-2-amine
CID 58877241
6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-[4-morpholin-2-yl-3-(trifluoromethyl)phenyl]pyridin-3-amine
CID 90733507
5-fluoro-N-[(Z)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;N'-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyl]-5-[3-(trifluoromethyl)anilino]pyridine-2-carboximidamide
CID 90875869
6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methyl-N-phenylaniline
CID 91064955
3-ethyl-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;5-fluoro-N-[(Z)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
CID 91087283
(6S)-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-ol;2-[[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]methyl]pyridine;N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine;N-[(6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyrimidin-2-amine
CID 123612576
N-[(Z)-[4-[2-chloro-4-[4-[2-[(2Z)-2-[[5-(2-chloro-6-methylanilino)-2-pyridinyl]methylidene]hydrazinyl]-5-fluoropyrimidin-4-yl]morpholin-2-yl]-6-methylphenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 130197430
1-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]pyridin-3-yl]-3-N-[[4-[5-fluoro-2-[(2E)-2-[[5-(4-pyridazin-3-ylanilino)pyridin-2-yl]methylidene]hydrazinyl]pyrimidin-4-yl]morpholin-2-yl]methyl]-3-N-methyl-5-(trifluoromethyl)benzene-1,3-diamine
CID 130197437
5-fluoro-N-[(E)-[5-[3-[4-[[4-[5-fluoro-2-[(2E)-2-[[5-[3-(5-methylpyrimidin-2-yl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]morpholin-2-yl]methyl]pyrimidin-2-yl]anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
CID 130197441
(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-[(E)-[5-[4-pyrimidin-5-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]azanium
CID 143470944

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-N-[(E)-[5-[3-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(4-methylpiperazin-2-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperazin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-N-[(E)-[5-[3-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(4-methylpiperazin-2-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperazin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (CID 172939470) is 5-fluoro-N-methyl-N-[(E)-[5-[3-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(4-methylpiperazin-2-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperazin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-N-[(E)-[5-[3-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(4-methylpiperazin-2-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperazin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-N-[(E)-[5-[3-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(4-methylpiperazin-2-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperazin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is CN1CCN(CCc2cc(Nc3ccc(/C=N/N(C)c4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)CC1.CN1CCNC(c2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2C(F)(F)F)C1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(C4CNCCN4)c(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3ccc(C4CNCCO4)c(C(F)(F)F)c3)cn2)nc1N1CCOCC1.
What is the InChIKey of 5-fluoro-N-methyl-N-[(E)-[5-[3-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(4-methylpiperazin-2-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperazin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The InChIKey is DGLWIRNPVCLCCW-IWMFXALUSA-N. The full InChI is InChI=1S/C29H35F4N9O.C26H29F4N9O.C25H27F4N9O.C25H26F4N8O2/c1-39-7-9-41(10-8-39)6-5-21-15-22(29(31,32)33)17-25(16-21)37-24-4-3-23(34-18-24)19-36-40(2)28-35-20-26(30)27(38-28)42-11-13-43-14-12-42;1-38-7-6-31-23(16-38)20-5-4-17(12-21(20)26(28,29)30)35-19-3-2-18(32-13-19)14-34-37-25-33-15-22(27)24(36-25)39-8-10-40-11-9-39;26-21-14-33-24(36-23(21)38-7-9-39-10-8-38)37-34-13-17-1-2-18(12-32-17)35-16-3-4-19(20(11-16)25(27,28)29)22-15-30-5-6-31-22;26-21-14-32-24(35-23(21)37-6-9-38-10-7-37)36-33-13-17-1-2-18(12-31-17)34-16-3-4-19(20(11-16)25(27,28)29)22-15-30-5-8-39-22/h3-4,15-20,37H,5-14H2,1-2H3;2-5,12-15,23,31,35H,6-11,16H2,1H3,(H,33,36,37);1-4,11-14,22,30-31,35H,5-10,15H2,(H,33,36,37);1-4,11-14,22,30,34H,5-10,15H2,(H,32,35,36)/b36-19+;34-14+;34-13+;33-13+.
What are the key properties of 5-fluoro-N-methyl-N-[(E)-[5-[3-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(4-methylpiperazin-2-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperazin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
5-fluoro-N-methyl-N-[(E)-[5-[3-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(4-methylpiperazin-2-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperazin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine has a molecular weight of 2253.30 g/mol, XLogP of 14.51, 30 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-N-[(E)-[5-[3-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-(4-methylpiperazin-2-yl)-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-morpholin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-piperazin-2-yl-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 172939470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).