2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]benzaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine

C45H40Cl2F8N10O4 — CID 172929750

About 2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]benzaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine

2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]benzaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine (PubChem CID 172929750) has the molecular formula C45H40Cl2F8N10O4 and a molecular weight of 1007.77 g/mol. Its IUPAC name is 2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]benzaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine.

Molecular Properties

• Compound Name: 2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]benzaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine
• PubChem CID: 172929750
• Molecular Formula: C45H40Cl2F8N10O4
• Molecular Weight: 1007.77 g/mol
• Exact Mass: 1006.25
• IUPAC Name: 2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]benzaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine
• SMILES: Cc1c(Cl)cc(-c2cccc(C(F)(F)F)c2)cc1C=O.NNc1ncc(F)c(N2CCOCC2)n1.Oc1c(Cl)cc(-c2cccc(C(F)(F)F)c2)cc1/C=N\Nc1ncc(F)c(N2CCOCC2)n1
• InChI: InChI=1S/C22H18ClF4N5O2.C15H10ClF3O.C8H12FN5O/c23-17-10-14(13-2-1-3-16(9-13)22(25,26)27)8-15(19(17)33)11-29-31-21-28-12-18(24)20(30-21)32-4-6-34-7-5-32;1-9-12(8-20)5-11(7-14(9)16)10-3-2-4-13(6-10)15(17,18)19;9-6-5-11-8(13-10)12-7(6)14-1-3-15-4-2-14/h1-3,8-12,33H,4-7H2,(H,28,30,31);2-8H,1H3;5H,1-4,10H2,(H,11,12,13)/b29-11-
• InChIKey: WLHUGQAMPSNOKF-VVXQETHLSA-N
• XLogP: 9.83
• TPSA: 176.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1007.77
LogP ≤ 5	9.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]benzaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine?

The IUPAC name of 2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]benzaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine (CID 172929750) is 2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]benzaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine.

What is the SMILES notation for 2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]benzaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine?

The canonical SMILES for 2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]benzaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine is Cc1c(Cl)cc(-c2cccc(C(F)(F)F)c2)cc1C=O.NNc1ncc(F)c(N2CCOCC2)n1.Oc1c(Cl)cc(-c2cccc(C(F)(F)F)c2)cc1/C=N\Nc1ncc(F)c(N2CCOCC2)n1.

What is the InChIKey of 2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]benzaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine?

The InChIKey is WLHUGQAMPSNOKF-VVXQETHLSA-N. The full InChI is InChI=1S/C22H18ClF4N5O2.C15H10ClF3O.C8H12FN5O/c23-17-10-14(13-2-1-3-16(9-13)22(25,26)27)8-15(19(17)33)11-29-31-21-28-12-18(24)20(30-21)32-4-6-34-7-5-32;1-9-12(8-20)5-11(7-14(9)16)10-3-2-4-13(6-10)15(17,18)19;9-6-5-11-8(13-10)12-7(6)14-1-3-15-4-2-14/h1-3,8-12,33H,4-7H2,(H,28,30,31);2-8H,1H3;5H,1-4,10H2,(H,11,12,13)/b29-11-;;.

What are the key properties of 2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]benzaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine?

2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]benzaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine has a molecular weight of 1007.77 g/mol, XLogP of 9.83, 9 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]benzaldehyde;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine is sourced from PubChem (CID 172929750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).