5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-hexylpyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine

C110H83Cl4F19N14O12 — CID 161169930

About 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-hexylpyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine

5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-hexylpyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine (PubChem CID 161169930) has the molecular formula C110H83Cl4F19N14O12 and a molecular weight of 2297.75 g/mol. Its IUPAC name is 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-hexylpyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-hexylpyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
• PubChem CID: 161169930
• Molecular Formula: C110H83Cl4F19N14O12
• Molecular Weight: 2297.75 g/mol
• Exact Mass: 2294.49
• IUPAC Name: 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-hexylpyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
• SMILES: CC(C)CNc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CCCCCCNc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Cc1cc2c(cc1-c1ccc(NCc3c(F)cccc3F)nc1)OC(F)(F)O2.Fc1cccc(F)c1CNc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Fc1ccccc1CNc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.[2H]C([2H])(Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1)c1c(F)cccc1F
• InChI: InChI=1S/2C20H14F4N2O2.C18H10ClF4N3O2.C18H11ClF3N3O2.C18H19ClF2N2O2.C16H15ClF2N2O2/c2*1-11-7-17-18(28-20(23,24)27-17)8-13(11)12-5-6-19(25-9-12)26-10-14-15(21)3-2-4-16(14)22;19-11-5-16-15(27-18(22,23)28-16)4-9(11)14-7-26-17(8-24-14)25-6-10-12(20)2-1-3-13(10)21;19-12-6-16-15(26-18(21,22)27-16)5-11(12)14-8-25-17(9-23-14)24-7-10-3-1-2-4-13(10)20;1-2-3-4-5-8-22-17-7-6-12(11-23-17)13-9-15-16(10-14(13)19)25-18(20,21)24-15;1-9(2)7-20-15-4-3-10(8-21-15)11-5-13-14(6-12(11)17)23-16(18,19)22-13/h2*2-9H,10H2,1H3,(H,25,26);1-5,7-8H,6H2,(H,25,26);1-6,8-9H,7H2,(H,24,25);6-7,9-11H,2-5,8H2,1H3,(H,22,23);3-6,8-9H,7H2,1-2H3,(H,20,21)/i10D2
• InChIKey: URAVFFZBYZGLQD-YIESLXEGSA-N
• XLogP: 30.92
• TPSA: 286.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2297.75
LogP ≤ 5	30.92
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-hexylpyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?

The IUPAC name of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-hexylpyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine (CID 161169930) is 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-hexylpyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine.

What is the SMILES notation for 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-hexylpyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?

The canonical SMILES for 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-hexylpyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine is CC(C)CNc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CCCCCCNc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Cc1cc2c(cc1-c1ccc(NCc3c(F)cccc3F)nc1)OC(F)(F)O2.Fc1cccc(F)c1CNc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Fc1ccccc1CNc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.[2H]C([2H])(Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1)c1c(F)cccc1F.

What is the InChIKey of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-hexylpyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?

The InChIKey is URAVFFZBYZGLQD-YIESLXEGSA-N. The full InChI is InChI=1S/2C20H14F4N2O2.C18H10ClF4N3O2.C18H11ClF3N3O2.C18H19ClF2N2O2.C16H15ClF2N2O2/c2*1-11-7-17-18(28-20(23,24)27-17)8-13(11)12-5-6-19(25-9-12)26-10-14-15(21)3-2-4-16(14)22;19-11-5-16-15(27-18(22,23)28-16)4-9(11)14-7-26-17(8-24-14)25-6-10-12(20)2-1-3-13(10)21;19-12-6-16-15(26-18(21,22)27-16)5-11(12)14-8-25-17(9-23-14)24-7-10-3-1-2-4-13(10)20;1-2-3-4-5-8-22-17-7-6-12(11-23-17)13-9-15-16(10-14(13)19)25-18(20,21)24-15;1-9(2)7-20-15-4-3-10(8-21-15)11-5-13-14(6-12(11)17)23-16(18,19)22-13/h2*2-9H,10H2,1H3,(H,25,26);1-5,7-8H,6H2,(H,25,26);1-6,8-9H,7H2,(H,24,25);6-7,9-11H,2-5,8H2,1H3,(H,22,23);3-6,8-9H,7H2,1-2H3,(H,20,21)/i10D2;;;;;.

What are the key properties of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-hexylpyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?

5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-hexylpyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine has a molecular weight of 2297.75 g/mol, XLogP of 30.92, 27 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-hexylpyridin-2-amine;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pyridin-2-amine;N-[dideuterio-(2,6-difluorophenyl)methyl]-5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyridin-2-amine;5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 161169930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).