sodium;acetyl chloride;2-N-(2-amino-4,5-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2,6-dichloropyrazine;4,5-difluorobenzene-1,2-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;2-methylbutan-2-olate

C71H62Cl4F15N18NaO2 — CID 159932587

About sodium;acetyl chloride;2-N-(2-amino-4,5-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2,6-dichloropyrazine;4,5-difluorobenzene-1,2-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;2-methylbutan-2-olate

sodium;acetyl chloride;2-N-(2-amino-4,5-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2,6-dichloropyrazine;4,5-difluorobenzene-1,2-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;2-methylbutan-2-olate (PubChem CID 159932587) has the molecular formula C71H62Cl4F15N18NaO2 and a molecular weight of 1649.17 g/mol. Its IUPAC name is sodium;acetyl chloride;2-N-(2-amino-4,5-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2,6-dichloropyrazine;4,5-difluorobenzene-1,2-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;2-methylbutan-2-olate.

Molecular Properties

• Compound Name: sodium;acetyl chloride;2-N-(2-amino-4,5-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2,6-dichloropyrazine;4,5-difluorobenzene-1,2-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;2-methylbutan-2-olate
• PubChem CID: 159932587
• Molecular Formula: C71H62Cl4F15N18NaO2
• Molecular Weight: 1649.17 g/mol
• Exact Mass: 1646.37
• IUPAC Name: sodium;acetyl chloride;2-N-(2-amino-4,5-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2,6-dichloropyrazine;4,5-difluorobenzene-1,2-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;2-methylbutan-2-olate
• SMILES: CC(=O)Cl.CCC(C)(C)[O-].Cc1ccc(N)cc1.Cc1nc2cc(F)c(F)cc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Clc1cncc(Cl)n1.FC(F)(F)c1ccc(Nc2cncc(Cl)n2)cc1.Nc1cc(F)c(F)cc1N.Nc1cc(F)c(F)cc1Nc1cncc(Nc2ccc(C(F)(F)F)cc2)n1.[Na+]
• InChI: InChI=1S/C19H12F5N5.C17H12F5N5.C11H7ClF3N3.C7H9N.C6H6F2N2.C5H11O.C4H2Cl2N2.C2H3ClO.Na/c1-10-26-15-6-13(20)14(21)7-16(15)29(10)18-9-25-8-17(28-18)27-12-4-2-11(3-5-12)19(22,23)24;18-11-5-13(23)14(6-12(11)19)26-16-8-24-7-15(27-16)25-10-3-1-9(2-4-10)17(20,21)22;12-9-5-16-6-10(18-9)17-8-3-1-7(2-4-8)11(13,14)15;1-6-2-4-7(8)5-3-6;7-3-1-5(9)6(10)2-4(3)8;1-4-5(2,3)6;5-3-1-7-2-4(6)8-3;1-2(3)4;/h2-9H,1H3,(H,27,28);1-8H,23H2,(H2,25,26,27);1-6H,(H,17,18);2-5H,8H2,1H3;1-2H,9-10H2;4H2,1-3H3;1-2H;1H3;/q;;;;;-1;;;+1
• InChIKey: NZVINOYZHFGXFW-UHFFFAOYSA-N
• XLogP: 16.70
• TPSA: 313.27 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1649.17
LogP ≤ 5	16.70
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;acetyl chloride;2-N-(2-amino-4,5-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2,6-dichloropyrazine;4,5-difluorobenzene-1,2-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;2-methylbutan-2-olate?

The IUPAC name of sodium;acetyl chloride;2-N-(2-amino-4,5-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2,6-dichloropyrazine;4,5-difluorobenzene-1,2-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;2-methylbutan-2-olate (CID 159932587) is sodium;acetyl chloride;2-N-(2-amino-4,5-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2,6-dichloropyrazine;4,5-difluorobenzene-1,2-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;2-methylbutan-2-olate.

What is the SMILES notation for sodium;acetyl chloride;2-N-(2-amino-4,5-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2,6-dichloropyrazine;4,5-difluorobenzene-1,2-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;2-methylbutan-2-olate?

The canonical SMILES for sodium;acetyl chloride;2-N-(2-amino-4,5-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2,6-dichloropyrazine;4,5-difluorobenzene-1,2-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;2-methylbutan-2-olate is CC(=O)Cl.CCC(C)(C)[O-].Cc1ccc(N)cc1.Cc1nc2cc(F)c(F)cc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Clc1cncc(Cl)n1.FC(F)(F)c1ccc(Nc2cncc(Cl)n2)cc1.Nc1cc(F)c(F)cc1N.Nc1cc(F)c(F)cc1Nc1cncc(Nc2ccc(C(F)(F)F)cc2)n1.[Na+].

What is the InChIKey of sodium;acetyl chloride;2-N-(2-amino-4,5-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2,6-dichloropyrazine;4,5-difluorobenzene-1,2-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;2-methylbutan-2-olate?

The InChIKey is NZVINOYZHFGXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5N5.C17H12F5N5.C11H7ClF3N3.C7H9N.C6H6F2N2.C5H11O.C4H2Cl2N2.C2H3ClO.Na/c1-10-26-15-6-13(20)14(21)7-16(15)29(10)18-9-25-8-17(28-18)27-12-4-2-11(3-5-12)19(22,23)24;18-11-5-13(23)14(6-12(11)19)26-16-8-24-7-15(27-16)25-10-3-1-9(2-4-10)17(20,21)22;12-9-5-16-6-10(18-9)17-8-3-1-7(2-4-8)11(13,14)15;1-6-2-4-7(8)5-3-6;7-3-1-5(9)6(10)2-4(3)8;1-4-5(2,3)6;5-3-1-7-2-4(6)8-3;1-2(3)4;/h2-9H,1H3,(H,27,28);1-8H,23H2,(H2,25,26,27);1-6H,(H,17,18);2-5H,8H2,1H3;1-2H,9-10H2;4H2,1-3H3;1-2H;1H3;/q;;;;;-1;;;+1.

What are the key properties of sodium;acetyl chloride;2-N-(2-amino-4,5-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2,6-dichloropyrazine;4,5-difluorobenzene-1,2-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;2-methylbutan-2-olate?

sodium;acetyl chloride;2-N-(2-amino-4,5-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2,6-dichloropyrazine;4,5-difluorobenzene-1,2-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;2-methylbutan-2-olate has a molecular weight of 1649.17 g/mol, XLogP of 16.70, 10 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;acetyl chloride;2-N-(2-amino-4,5-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2,6-dichloropyrazine;4,5-difluorobenzene-1,2-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-methylaniline;2-methylbutan-2-olate is sourced from PubChem (CID 159932587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).