5-(2-chloropyrimidin-4-yl)oxy-2,4-difluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline

C50H33Cl4F9N16O4 — CID 158544665

About 5-(2-chloropyrimidin-4-yl)oxy-2,4-difluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline

5-(2-chloropyrimidin-4-yl)oxy-2,4-difluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline (PubChem CID 158544665) has the molecular formula C50H33Cl4F9N16O4 and a molecular weight of 1234.72 g/mol. Its IUPAC name is 5-(2-chloropyrimidin-4-yl)oxy-2,4-difluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline.

Molecular Properties

• Compound Name: 5-(2-chloropyrimidin-4-yl)oxy-2,4-difluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline
• PubChem CID: 158544665
• Molecular Formula: C50H33Cl4F9N16O4
• Molecular Weight: 1234.72 g/mol
• Exact Mass: 1232.15
• IUPAC Name: 5-(2-chloropyrimidin-4-yl)oxy-2,4-difluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline
• SMILES: Clc1ccnc(Cl)n1.Cn1cc(-c2nccc(Oc3cc(N)c(F)cc3F)n2)cn1.Cn1cc(-c2nccc(Oc3cc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c(F)cc3F)n2)cn1.Nc1cc(Oc2ccnc(Cl)n2)c(F)cc1F
• InChI: InChI=1S/C22H14ClF5N6O2.C14H11F2N5O.C10H6ClF2N3O.C4H2Cl2N2/c1-34-10-11(9-30-34)20-29-5-4-19(33-20)36-18-8-17(15(24)7-16(18)25)32-21(35)31-12-2-3-14(23)13(6-12)22(26,27)28;1-21-7-8(6-19-21)14-18-3-2-13(20-14)22-12-5-11(17)9(15)4-10(12)16;11-10-15-2-1-9(16-10)17-8-4-7(14)5(12)3-6(8)13;5-3-1-2-7-4(6)8-3/h2-10H,1H3,(H2,31,32,35);2-7H,17H2,1H3;1-4H,14H2;1-2H
• InChIKey: HOYQFETYUCUYDY-UHFFFAOYSA-N
• XLogP: 13.36
• TPSA: 259.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1234.72
LogP ≤ 5	13.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloropyrimidin-4-yl)oxy-2,4-difluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline?

The IUPAC name of 5-(2-chloropyrimidin-4-yl)oxy-2,4-difluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline (CID 158544665) is 5-(2-chloropyrimidin-4-yl)oxy-2,4-difluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline.

What is the SMILES notation for 5-(2-chloropyrimidin-4-yl)oxy-2,4-difluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline?

The canonical SMILES for 5-(2-chloropyrimidin-4-yl)oxy-2,4-difluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline is Clc1ccnc(Cl)n1.Cn1cc(-c2nccc(Oc3cc(N)c(F)cc3F)n2)cn1.Cn1cc(-c2nccc(Oc3cc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c(F)cc3F)n2)cn1.Nc1cc(Oc2ccnc(Cl)n2)c(F)cc1F.

What is the InChIKey of 5-(2-chloropyrimidin-4-yl)oxy-2,4-difluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline?

The InChIKey is HOYQFETYUCUYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF5N6O2.C14H11F2N5O.C10H6ClF2N3O.C4H2Cl2N2/c1-34-10-11(9-30-34)20-29-5-4-19(33-20)36-18-8-17(15(24)7-16(18)25)32-21(35)31-12-2-3-14(23)13(6-12)22(26,27)28;1-21-7-8(6-19-21)14-18-3-2-13(20-14)22-12-5-11(17)9(15)4-10(12)16;11-10-15-2-1-9(16-10)17-8-4-7(14)5(12)3-6(8)13;5-3-1-2-7-4(6)8-3/h2-10H,1H3,(H2,31,32,35);2-7H,17H2,1H3;1-4H,14H2;1-2H.

What are the key properties of 5-(2-chloropyrimidin-4-yl)oxy-2,4-difluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline?

5-(2-chloropyrimidin-4-yl)oxy-2,4-difluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline has a molecular weight of 1234.72 g/mol, XLogP of 13.36, 10 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-chloropyrimidin-4-yl)oxy-2,4-difluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline is sourced from PubChem (CID 158544665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).