2-methyl-3-(2-phenylethoxy)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;3-methyl-N-(2-phenylethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;bis(3-methyl-N-[(2S)-2-phenylpropyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine)

C90H103N11O9S4 — CID 159172181

About 2-methyl-3-(2-phenylethoxy)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;3-methyl-N-(2-phenylethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;bis(3-methyl-N-[(2S)-2-phenylpropyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine)

2-methyl-3-(2-phenylethoxy)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;3-methyl-N-(2-phenylethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;bis(3-methyl-N-[(2S)-2-phenylpropyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine) (PubChem CID 159172181) has the molecular formula C90H103N11O9S4 and a molecular weight of 1611.15 g/mol. Its IUPAC name is 2-methyl-3-(2-phenylethoxy)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;3-methyl-N-(2-phenylethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;bis(3-methyl-N-[(2S)-2-phenylpropyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine).

Molecular Properties

• Compound Name: 2-methyl-3-(2-phenylethoxy)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;3-methyl-N-(2-phenylethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;bis(3-methyl-N-[(2S)-2-phenylpropyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine)
• PubChem CID: 159172181
• Molecular Formula: C90H103N11O9S4
• Molecular Weight: 1611.15 g/mol
• Exact Mass: 1609.68
• IUPAC Name: 2-methyl-3-(2-phenylethoxy)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;3-methyl-N-(2-phenylethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;bis(3-methyl-N-[(2S)-2-phenylpropyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine)
• SMILES: Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1NCCc1ccccc1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1NC[C@@H](C)c1ccccc1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1NC[C@@H](C)c1ccccc1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1OCCc1ccccc1
• InChI: InChI=1S/2C23H27N3O2S.C22H25N3O2S.C22H24N2O3S/c2*1-16(2)29(27,28)21-12-10-20(11-13-21)22-15-24-18(4)23(26-22)25-14-17(3)19-8-6-5-7-9-19;1-16(2)28(26,27)20-11-9-19(10-12-20)21-15-24-17(3)22(25-21)23-14-13-18-7-5-4-6-8-18;1-16(2)28(25,26)20-11-9-19(10-12-20)21-15-23-17(3)22(24-21)27-14-13-18-7-5-4-6-8-18/h2*5-13,15-17H,14H2,1-4H3,(H,25,26);4-12,15-16H,13-14H2,1-3H3,(H,23,25);4-12,15-16H,13-14H2,1-3H3/t2*17-;;/m11../s1
• InChIKey: KLVFMPNYFQHLJS-ASWWNZGLSA-N
• XLogP: 18.24
• TPSA: 285.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 28
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1611.15
LogP ≤ 5	18.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-phenylethoxy)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;3-methyl-N-(2-phenylethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;bis(3-methyl-N-[(2S)-2-phenylpropyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine)?

The IUPAC name of 2-methyl-3-(2-phenylethoxy)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;3-methyl-N-(2-phenylethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;bis(3-methyl-N-[(2S)-2-phenylpropyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine) (CID 159172181) is 2-methyl-3-(2-phenylethoxy)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;3-methyl-N-(2-phenylethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;bis(3-methyl-N-[(2S)-2-phenylpropyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine).

What is the SMILES notation for 2-methyl-3-(2-phenylethoxy)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;3-methyl-N-(2-phenylethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;bis(3-methyl-N-[(2S)-2-phenylpropyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine)?

The canonical SMILES for 2-methyl-3-(2-phenylethoxy)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;3-methyl-N-(2-phenylethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;bis(3-methyl-N-[(2S)-2-phenylpropyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine) is Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1NCCc1ccccc1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1NC[C@@H](C)c1ccccc1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1NC[C@@H](C)c1ccccc1.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1OCCc1ccccc1.

What is the InChIKey of 2-methyl-3-(2-phenylethoxy)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;3-methyl-N-(2-phenylethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;bis(3-methyl-N-[(2S)-2-phenylpropyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine)?

The InChIKey is KLVFMPNYFQHLJS-ASWWNZGLSA-N. The full InChI is InChI=1S/2C23H27N3O2S.C22H25N3O2S.C22H24N2O3S/c2*1-16(2)29(27,28)21-12-10-20(11-13-21)22-15-24-18(4)23(26-22)25-14-17(3)19-8-6-5-7-9-19;1-16(2)28(26,27)20-11-9-19(10-12-20)21-15-24-17(3)22(25-21)23-14-13-18-7-5-4-6-8-18;1-16(2)28(25,26)20-11-9-19(10-12-20)21-15-23-17(3)22(24-21)27-14-13-18-7-5-4-6-8-18/h2*5-13,15-17H,14H2,1-4H3,(H,25,26);4-12,15-16H,13-14H2,1-3H3,(H,23,25);4-12,15-16H,13-14H2,1-3H3/t2*17-;;/m11../s1.

What are the key properties of 2-methyl-3-(2-phenylethoxy)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;3-methyl-N-(2-phenylethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;bis(3-methyl-N-[(2S)-2-phenylpropyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine)?

2-methyl-3-(2-phenylethoxy)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;3-methyl-N-(2-phenylethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;bis(3-methyl-N-[(2S)-2-phenylpropyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine) has a molecular weight of 1611.15 g/mol, XLogP of 18.24, 28 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-(2-phenylethoxy)-5-(4-propan-2-ylsulfonylphenyl)pyrazine;3-methyl-N-(2-phenylethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;bis(3-methyl-N-[(2S)-2-phenylpropyl]-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine) is sourced from PubChem (CID 159172181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).