2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine

C108H126Cl2F10N34O6 — CID 172956940

About 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine

2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 172956940) has the molecular formula C108H126Cl2F10N34O6 and a molecular weight of 2257.31 g/mol. Its IUPAC name is 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

• Compound Name: 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
• PubChem CID: 172956940
• Molecular Formula: C108H126Cl2F10N34O6
• Molecular Weight: 2257.31 g/mol
• Exact Mass: 2254.98
• IUPAC Name: 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
• SMILES: CN1CCN(Cc2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c(O)c3Cl)cc2)CC1.CN1CCN(Cc2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c(O)c3Cl)cc2C(F)(F)F)CC1.CN1CCN(Cc2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2)CC1.CN1CCN(Cc2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2C(F)(F)F)CC1
• InChI: InChI=1S/C28H31ClF4N8O2.C27H32ClFN8O2.C27H31F4N9O.C26H32FN9O/c1-39-6-8-40(9-7-39)17-19-2-4-20(14-21(19)28(31,32)33)36-23-5-3-18(25(42)24(23)29)15-35-38-27-34-16-22(30)26(37-27)41-10-12-43-13-11-41;1-35-8-10-36(11-9-35)18-19-2-5-21(6-3-19)32-23-7-4-20(25(38)24(23)28)16-31-34-27-30-17-22(29)26(33-27)37-12-14-39-15-13-37;1-38-6-8-39(9-7-38)18-19-2-3-20(14-23(19)27(29,30)31)35-22-5-4-21(32-15-22)16-34-37-26-33-17-24(28)25(36-26)40-10-12-41-13-11-40;1-34-8-10-35(11-9-34)19-20-2-4-21(5-3-20)31-23-7-6-22(28-16-23)17-30-33-26-29-18-24(27)25(32-26)36-12-14-37-15-13-36/h2-5,14-16,36,42H,6-13,17H2,1H3,(H,34,37,38);2-7,16-17,32,38H,8-15,18H2,1H3,(H,30,33,34);2-5,14-17,35H,6-13,18H2,1H3,(H,33,36,37);2-7,16-18,31H,8-15,19H2,1H3,(H,29,32,33)/b35-15+;31-16+;34-16+;30-17+
• InChIKey: VTJCMYSHGRWXNT-AEZYYKINSA-N
• XLogP: 15.10
• TPSA: 390.84 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 40
• Rotatable Bonds: 32
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2257.31
LogP ≤ 5	15.10
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?

The IUPAC name of 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine (CID 172956940) is 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine.

What is the SMILES notation for 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?

The canonical SMILES for 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine is CN1CCN(Cc2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c(O)c3Cl)cc2)CC1.CN1CCN(Cc2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c(O)c3Cl)cc2C(F)(F)F)CC1.CN1CCN(Cc2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2)CC1.CN1CCN(Cc2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2C(F)(F)F)CC1.

What is the InChIKey of 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?

The InChIKey is VTJCMYSHGRWXNT-AEZYYKINSA-N. The full InChI is InChI=1S/C28H31ClF4N8O2.C27H32ClFN8O2.C27H31F4N9O.C26H32FN9O/c1-39-6-8-40(9-7-39)17-19-2-4-20(14-21(19)28(31,32)33)36-23-5-3-18(25(42)24(23)29)15-35-38-27-34-16-22(30)26(37-27)41-10-12-43-13-11-41;1-35-8-10-36(11-9-35)18-19-2-5-21(6-3-19)32-23-7-4-20(25(38)24(23)28)16-31-34-27-30-17-22(29)26(33-27)37-12-14-39-15-13-37;1-38-6-8-39(9-7-38)18-19-2-3-20(14-23(19)27(29,30)31)35-22-5-4-21(32-15-22)16-34-37-26-33-17-24(28)25(36-26)40-10-12-41-13-11-40;1-34-8-10-35(11-9-34)19-20-2-4-21(5-3-20)31-23-7-6-22(28-16-23)17-30-33-26-29-18-24(27)25(32-26)36-12-14-37-15-13-36/h2-5,14-16,36,42H,6-13,17H2,1H3,(H,34,37,38);2-7,16-17,32,38H,8-15,18H2,1H3,(H,30,33,34);2-5,14-17,35H,6-13,18H2,1H3,(H,33,36,37);2-7,16-18,31H,8-15,19H2,1H3,(H,29,32,33)/b35-15+;31-16+;34-16+;30-17+.

What are the key properties of 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?

2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 2257.31 g/mol, XLogP of 15.10, 32 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]anilino]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 172956940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).