2-N-(2-amino-5-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-(5-fluoro-2-nitrophenyl)pyrazin-2-amine;2,6-dichloropyrazine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;5-fluoro-2-nitroaniline;2-N-(5-fluoro-2-nitrophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;4-methylaniline;molecular hydrogen;1,1,1-triethoxyethane

C88H79Cl3F14N24O9 — CID 157461242

About 2-N-(2-amino-5-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-(5-fluoro-2-nitrophenyl)pyrazin-2-amine;2,6-dichloropyrazine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;5-fluoro-2-nitroaniline;2-N-(5-fluoro-2-nitrophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;4-methylaniline;molecular hydrogen;1,1,1-triethoxyethane

2-N-(2-amino-5-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-(5-fluoro-2-nitrophenyl)pyrazin-2-amine;2,6-dichloropyrazine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;5-fluoro-2-nitroaniline;2-N-(5-fluoro-2-nitrophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;4-methylaniline;molecular hydrogen;1,1,1-triethoxyethane (PubChem CID 157461242) has the molecular formula C88H79Cl3F14N24O9 and a molecular weight of 1989.09 g/mol. Its IUPAC name is 2-N-(2-amino-5-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-(5-fluoro-2-nitrophenyl)pyrazin-2-amine;2,6-dichloropyrazine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;5-fluoro-2-nitroaniline;2-N-(5-fluoro-2-nitrophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;4-methylaniline;molecular hydrogen;1,1,1-triethoxyethane.

Molecular Properties

• Compound Name: 2-N-(2-amino-5-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-(5-fluoro-2-nitrophenyl)pyrazin-2-amine;2,6-dichloropyrazine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;5-fluoro-2-nitroaniline;2-N-(5-fluoro-2-nitrophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;4-methylaniline;molecular hydrogen;1,1,1-triethoxyethane
• PubChem CID: 157461242
• Molecular Formula: C88H79Cl3F14N24O9
• Molecular Weight: 1989.09 g/mol
• Exact Mass: 1986.53
• IUPAC Name: 2-N-(2-amino-5-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-(5-fluoro-2-nitrophenyl)pyrazin-2-amine;2,6-dichloropyrazine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;5-fluoro-2-nitroaniline;2-N-(5-fluoro-2-nitrophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;4-methylaniline;molecular hydrogen;1,1,1-triethoxyethane
• SMILES: CCOC(C)(OCC)OCC.Cc1ccc(N)cc1.Cc1nc2ccc(F)cc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Clc1cncc(Cl)n1.Nc1cc(F)ccc1[N+](=O)[O-].Nc1ccc(F)cc1Nc1cncc(Nc2ccc(C(F)(F)F)cc2)n1.O=[N+]([O-])c1ccc(F)cc1Nc1cncc(Cl)n1.O=[N+]([O-])c1ccc(F)cc1Nc1cncc(Nc2ccc(C(F)(F)F)cc2)n1.[H][H]
• InChI: InChI=1S/C19H13F4N5.C17H11F4N5O2.C17H13F4N5.C10H6ClFN4O2.C8H18O3.C7H9N.C6H5FN2O2.C4H2Cl2N2.H2/c1-11-25-15-7-4-13(20)8-16(15)28(11)18-10-24-9-17(27-18)26-14-5-2-12(3-6-14)19(21,22)23;18-11-3-6-14(26(27)28)13(7-11)24-16-9-22-8-15(25-16)23-12-4-1-10(2-5-12)17(19,20)21;18-11-3-6-13(22)14(7-11)25-16-9-23-8-15(26-16)24-12-4-1-10(2-5-12)17(19,20)21;11-9-4-13-5-10(15-9)14-7-3-6(12)1-2-8(7)16(17)18;1-5-9-8(4,10-6-2)11-7-3;1-6-2-4-7(8)5-3-6;7-4-1-2-6(9(10)11)5(8)3-4;5-3-1-7-2-4(6)8-3;/h2-10H,1H3,(H,26,27);1-9H,(H2,23,24,25);1-9H,22H2,(H2,24,25,26);1-5H,(H,14,15);5-7H2,1-4H3;2-5H,8H2,1H3;1-3H,8H2;1-2H;1H
• InChIKey: BTYGWNNBQLTWKH-UHFFFAOYSA-N
• XLogP: 24.37
• TPSA: 454.07 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1989.09
LogP ≤ 5	24.37
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-amino-5-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-(5-fluoro-2-nitrophenyl)pyrazin-2-amine;2,6-dichloropyrazine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;5-fluoro-2-nitroaniline;2-N-(5-fluoro-2-nitrophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;4-methylaniline;molecular hydrogen;1,1,1-triethoxyethane?

The IUPAC name of 2-N-(2-amino-5-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-(5-fluoro-2-nitrophenyl)pyrazin-2-amine;2,6-dichloropyrazine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;5-fluoro-2-nitroaniline;2-N-(5-fluoro-2-nitrophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;4-methylaniline;molecular hydrogen;1,1,1-triethoxyethane (CID 157461242) is 2-N-(2-amino-5-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-(5-fluoro-2-nitrophenyl)pyrazin-2-amine;2,6-dichloropyrazine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;5-fluoro-2-nitroaniline;2-N-(5-fluoro-2-nitrophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;4-methylaniline;molecular hydrogen;1,1,1-triethoxyethane.

What is the SMILES notation for 2-N-(2-amino-5-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-(5-fluoro-2-nitrophenyl)pyrazin-2-amine;2,6-dichloropyrazine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;5-fluoro-2-nitroaniline;2-N-(5-fluoro-2-nitrophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;4-methylaniline;molecular hydrogen;1,1,1-triethoxyethane?

The canonical SMILES for 2-N-(2-amino-5-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-(5-fluoro-2-nitrophenyl)pyrazin-2-amine;2,6-dichloropyrazine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;5-fluoro-2-nitroaniline;2-N-(5-fluoro-2-nitrophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;4-methylaniline;molecular hydrogen;1,1,1-triethoxyethane is CCOC(C)(OCC)OCC.Cc1ccc(N)cc1.Cc1nc2ccc(F)cc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Clc1cncc(Cl)n1.Nc1cc(F)ccc1[N+](=O)[O-].Nc1ccc(F)cc1Nc1cncc(Nc2ccc(C(F)(F)F)cc2)n1.O=[N+]([O-])c1ccc(F)cc1Nc1cncc(Cl)n1.O=[N+]([O-])c1ccc(F)cc1Nc1cncc(Nc2ccc(C(F)(F)F)cc2)n1.[H][H].

What is the InChIKey of 2-N-(2-amino-5-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-(5-fluoro-2-nitrophenyl)pyrazin-2-amine;2,6-dichloropyrazine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;5-fluoro-2-nitroaniline;2-N-(5-fluoro-2-nitrophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;4-methylaniline;molecular hydrogen;1,1,1-triethoxyethane?

The InChIKey is BTYGWNNBQLTWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N5.C17H11F4N5O2.C17H13F4N5.C10H6ClFN4O2.C8H18O3.C7H9N.C6H5FN2O2.C4H2Cl2N2.H2/c1-11-25-15-7-4-13(20)8-16(15)28(11)18-10-24-9-17(27-18)26-14-5-2-12(3-6-14)19(21,22)23;18-11-3-6-14(26(27)28)13(7-11)24-16-9-22-8-15(25-16)23-12-4-1-10(2-5-12)17(19,20)21;18-11-3-6-13(22)14(7-11)25-16-9-23-8-15(26-16)24-12-4-1-10(2-5-12)17(19,20)21;11-9-4-13-5-10(15-9)14-7-3-6(12)1-2-8(7)16(17)18;1-5-9-8(4,10-6-2)11-7-3;1-6-2-4-7(8)5-3-6;7-4-1-2-6(9(10)11)5(8)3-4;5-3-1-7-2-4(6)8-3;/h2-10H,1H3,(H,26,27);1-9H,(H2,23,24,25);1-9H,22H2,(H2,24,25,26);1-5H,(H,14,15);5-7H2,1-4H3;2-5H,8H2,1H3;1-3H,8H2;1-2H;1H.

What are the key properties of 2-N-(2-amino-5-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-(5-fluoro-2-nitrophenyl)pyrazin-2-amine;2,6-dichloropyrazine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;5-fluoro-2-nitroaniline;2-N-(5-fluoro-2-nitrophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;4-methylaniline;molecular hydrogen;1,1,1-triethoxyethane?

2-N-(2-amino-5-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-(5-fluoro-2-nitrophenyl)pyrazin-2-amine;2,6-dichloropyrazine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;5-fluoro-2-nitroaniline;2-N-(5-fluoro-2-nitrophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;4-methylaniline;molecular hydrogen;1,1,1-triethoxyethane has a molecular weight of 1989.09 g/mol, XLogP of 24.37, 22 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(2-amino-5-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;6-chloro-N-(5-fluoro-2-nitrophenyl)pyrazin-2-amine;2,6-dichloropyrazine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;5-fluoro-2-nitroaniline;2-N-(5-fluoro-2-nitrophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrazine-2,6-diamine;4-methylaniline;molecular hydrogen;1,1,1-triethoxyethane is sourced from PubChem (CID 157461242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).