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

C50H36Cl4F6N16O4 — CID 158760259

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

4-(2-chloropyrimidin-4-yl)oxy-2-fluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2-fluoro-4-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline (PubChem CID 158760259) has the molecular formula C50H36Cl4F6N16O4 and a molecular weight of 1180.75 g/mol. Its IUPAC name is 4-(2-chloropyrimidin-4-yl)oxy-2-fluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2-fluoro-4-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline.

Molecular Properties

• Compound Name: 4-(2-chloropyrimidin-4-yl)oxy-2-fluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2-fluoro-4-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline
• PubChem CID: 158760259
• Molecular Formula: C50H36Cl4F6N16O4
• Molecular Weight: 1180.75 g/mol
• Exact Mass: 1178.18
• IUPAC Name: 4-(2-chloropyrimidin-4-yl)oxy-2-fluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2-fluoro-4-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline
• SMILES: Clc1ccnc(Cl)n1.Cn1cc(-c2nccc(Oc3ccc(N)c(F)c3)n2)cn1.Cn1cc(-c2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c(F)c3)n2)cn1.Nc1ccc(Oc2ccnc(Cl)n2)cc1F
• InChI: InChI=1S/C22H15ClF4N6O2.C14H12FN5O.C10H7ClFN3O.C4H2Cl2N2/c1-33-11-12(10-29-33)20-28-7-6-19(32-20)35-14-3-5-18(17(24)9-14)31-21(34)30-13-2-4-16(23)15(8-13)22(25,26)27;1-20-8-9(7-18-20)14-17-5-4-13(19-14)21-10-2-3-12(16)11(15)6-10;11-10-14-4-3-9(15-10)16-6-1-2-8(13)7(12)5-6;5-3-1-2-7-4(6)8-3/h2-11H,1H3,(H2,30,31,34);2-8H,16H2,1H3;1-5H,13H2;1-2H
• InChIKey: IOOPBZYCQALTKL-UHFFFAOYSA-N
• XLogP: 12.94
• TPSA: 259.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1180.75
LogP ≤ 5	12.94
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 4-(2-chloropyrimidin-4-yl)oxy-2-fluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2-fluoro-4-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline?

The IUPAC name of 4-(2-chloropyrimidin-4-yl)oxy-2-fluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2-fluoro-4-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline (CID 158760259) is 4-(2-chloropyrimidin-4-yl)oxy-2-fluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2-fluoro-4-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline.

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

The canonical SMILES for 4-(2-chloropyrimidin-4-yl)oxy-2-fluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2-fluoro-4-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline is Clc1ccnc(Cl)n1.Cn1cc(-c2nccc(Oc3ccc(N)c(F)c3)n2)cn1.Cn1cc(-c2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c(F)c3)n2)cn1.Nc1ccc(Oc2ccnc(Cl)n2)cc1F.

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

The InChIKey is IOOPBZYCQALTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF4N6O2.C14H12FN5O.C10H7ClFN3O.C4H2Cl2N2/c1-33-11-12(10-29-33)20-28-7-6-19(32-20)35-14-3-5-18(17(24)9-14)31-21(34)30-13-2-4-16(23)15(8-13)22(25,26)27;1-20-8-9(7-18-20)14-17-5-4-13(19-14)21-10-2-3-12(16)11(15)6-10;11-10-14-4-3-9(15-10)16-6-1-2-8(13)7(12)5-6;5-3-1-2-7-4(6)8-3/h2-11H,1H3,(H2,30,31,34);2-8H,16H2,1H3;1-5H,13H2;1-2H.

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

4-(2-chloropyrimidin-4-yl)oxy-2-fluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2-fluoro-4-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline has a molecular weight of 1180.75 g/mol, XLogP of 12.94, 10 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloropyrimidin-4-yl)oxy-2-fluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2-fluoro-4-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline is sourced from PubChem (CID 158760259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).