2-butylsulfinyl-6-(2-ethylpyrimidin-5-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine

C126H126N26O6S12 — CID 158221946

About 2-butylsulfinyl-6-(2-ethylpyrimidin-5-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine

2-butylsulfinyl-6-(2-ethylpyrimidin-5-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine (PubChem CID 158221946) has the molecular formula C126H126N26O6S12 and a molecular weight of 2485.37 g/mol. Its IUPAC name is 2-butylsulfinyl-6-(2-ethylpyrimidin-5-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 2-butylsulfinyl-6-(2-ethylpyrimidin-5-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine
• PubChem CID: 158221946
• Molecular Formula: C126H126N26O6S12
• Molecular Weight: 2485.37 g/mol
• Exact Mass: 2482.70
• IUPAC Name: 2-butylsulfinyl-6-(2-ethylpyrimidin-5-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine
• SMILES: CCCCS(=O)c1sc2nc(-c3ccncn3)cc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3cnc(CC)nc3)cc(-c3ccccc3)c2c1N.CCCC[S@@](=O)c1sc2nc(-c3cccnc3)cc(-c3cncn3C)c2c1N.CCCC[S@@](=O)c1sc2nc(-c3ccncn3)cc(-c3ccccc3)c2c1N.CCCC[S@](=O)c1sc2nc(-c3cccnc3)cc(-c3cncn3C)c2c1N.CCCC[S@](=O)c1sc2nc(-c3ccncn3)cc(-c3ccccc3)c2c1N
• InChI: InChI=1S/C23H24N4OS2.3C21H20N4OS2.2C20H21N5OS2/c1-3-5-11-30(28)23-21(24)20-17(15-9-7-6-8-10-15)12-18(27-22(20)29-23)16-13-25-19(4-2)26-14-16;3*1-2-3-11-28(26)21-19(22)18-15(14-7-5-4-6-8-14)12-17(25-20(18)27-21)16-9-10-23-13-24-16;2*1-3-4-8-28(26)20-18(21)17-14(16-11-23-12-25(16)2)9-15(24-19(17)27-20)13-6-5-7-22-10-13/h6-10,12-14H,3-5,11,24H2,1-2H3;3*4-10,12-13H,2-3,11,22H2,1H3;2*5-7,9-12H,3-4,8,21H2,1-2H3/t;2*28-;;2*28-/m.10.10/s1
• InChIKey: GDIPOSMNOHOMDB-PIJCQMLOSA-N
• XLogP: 28.70
• TPSA: 500.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 37
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2485.37
LogP ≤ 5	28.70
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinyl-6-(2-ethylpyrimidin-5-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine?

The IUPAC name of 2-butylsulfinyl-6-(2-ethylpyrimidin-5-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine (CID 158221946) is 2-butylsulfinyl-6-(2-ethylpyrimidin-5-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine.

What is the SMILES notation for 2-butylsulfinyl-6-(2-ethylpyrimidin-5-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine?

The canonical SMILES for 2-butylsulfinyl-6-(2-ethylpyrimidin-5-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine is CCCCS(=O)c1sc2nc(-c3ccncn3)cc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3cnc(CC)nc3)cc(-c3ccccc3)c2c1N.CCCC[S@@](=O)c1sc2nc(-c3cccnc3)cc(-c3cncn3C)c2c1N.CCCC[S@@](=O)c1sc2nc(-c3ccncn3)cc(-c3ccccc3)c2c1N.CCCC[S@](=O)c1sc2nc(-c3cccnc3)cc(-c3cncn3C)c2c1N.CCCC[S@](=O)c1sc2nc(-c3ccncn3)cc(-c3ccccc3)c2c1N.

What is the InChIKey of 2-butylsulfinyl-6-(2-ethylpyrimidin-5-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine?

The InChIKey is GDIPOSMNOHOMDB-PIJCQMLOSA-N. The full InChI is InChI=1S/C23H24N4OS2.3C21H20N4OS2.2C20H21N5OS2/c1-3-5-11-30(28)23-21(24)20-17(15-9-7-6-8-10-15)12-18(27-22(20)29-23)16-13-25-19(4-2)26-14-16;3*1-2-3-11-28(26)21-19(22)18-15(14-7-5-4-6-8-14)12-17(25-20(18)27-21)16-9-10-23-13-24-16;2*1-3-4-8-28(26)20-18(21)17-14(16-11-23-12-25(16)2)9-15(24-19(17)27-20)13-6-5-7-22-10-13/h6-10,12-14H,3-5,11,24H2,1-2H3;3*4-10,12-13H,2-3,11,22H2,1H3;2*5-7,9-12H,3-4,8,21H2,1-2H3/t;2*28-;;2*28-/m.10.10/s1.

What are the key properties of 2-butylsulfinyl-6-(2-ethylpyrimidin-5-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine?

2-butylsulfinyl-6-(2-ethylpyrimidin-5-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine has a molecular weight of 2485.37 g/mol, XLogP of 28.70, 37 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butylsulfinyl-6-(2-ethylpyrimidin-5-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-(3-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(S)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-butylsulfinyl]-4-phenyl-6-pyrimidin-4-ylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 158221946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).