6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-4-yl)thieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine

C99H92N22O8S11 — CID 157358242

About 6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-4-yl)thieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine

6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-4-yl)thieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine (PubChem CID 157358242) has the molecular formula C99H92N22O8S11 and a molecular weight of 2070.71 g/mol. Its IUPAC name is 6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-4-yl)thieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-4-yl)thieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine
• PubChem CID: 157358242
• Molecular Formula: C99H92N22O8S11
• Molecular Weight: 2070.71 g/mol
• Exact Mass: 2068.44
• IUPAC Name: 6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-4-yl)thieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine
• SMILES: CCCCS(=O)c1sc2nc(-c3cccnc3)nc(-c3cscn3)c2c1N.CCCC[S@](=O)c1sc2nc(-c3cccnc3)nc(-c3ccccc3)c2c1N.COCCCS(=O)c1sc2nc(-c3cccnc3)nc(-c3ccccc3)c2c1N.COCCS(=O)c1sc2nc(-c3cccnc3)nc(-c3ccccc3)c2c1N.COCCS(=O)c1sc2nc(-c3ncccn3)nc(-c3ccccc3)c2c1N
• InChI: InChI=1S/C21H20N4O2S2.C21H20N4OS2.C20H18N4O2S2.C19H17N5O2S2.C18H17N5OS3/c1-27-11-6-12-29(26)21-17(22)16-18(14-7-3-2-4-8-14)24-19(25-20(16)28-21)15-9-5-10-23-13-15;1-2-3-12-28(26)21-17(22)16-18(14-8-5-4-6-9-14)24-19(25-20(16)27-21)15-10-7-11-23-13-15;1-26-10-11-28(25)20-16(21)15-17(13-6-3-2-4-7-13)23-18(24-19(15)27-20)14-8-5-9-22-12-14;1-26-10-11-28(25)19-14(20)13-15(12-6-3-2-4-7-12)23-17(24-18(13)27-19)16-21-8-5-9-22-16;1-2-3-7-27(24)18-14(19)13-15(12-9-25-10-21-12)22-16(23-17(13)26-18)11-5-4-6-20-8-11/h2-5,7-10,13H,6,11-12,22H2,1H3;4-11,13H,2-3,12,22H2,1H3;2-9,12H,10-11,21H2,1H3;2-9H,10-11,20H2,1H3;4-6,8-10H,2-3,7,19H2,1H3/t;28-;;;/m.0.../s1
• InChIKey: BIIMIASXEUOWRT-JTHYCLKQSA-N
• XLogP: 20.33
• TPSA: 462.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 31
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2070.71
LogP ≤ 5	20.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-4-yl)thieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine?

The IUPAC name of 6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-4-yl)thieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine (CID 157358242) is 6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-4-yl)thieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine.

What is the SMILES notation for 6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-4-yl)thieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine?

The canonical SMILES for 6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-4-yl)thieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine is CCCCS(=O)c1sc2nc(-c3cccnc3)nc(-c3cscn3)c2c1N.CCCC[S@](=O)c1sc2nc(-c3cccnc3)nc(-c3ccccc3)c2c1N.COCCCS(=O)c1sc2nc(-c3cccnc3)nc(-c3ccccc3)c2c1N.COCCS(=O)c1sc2nc(-c3cccnc3)nc(-c3ccccc3)c2c1N.COCCS(=O)c1sc2nc(-c3ncccn3)nc(-c3ccccc3)c2c1N.

What is the InChIKey of 6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-4-yl)thieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine?

The InChIKey is BIIMIASXEUOWRT-JTHYCLKQSA-N. The full InChI is InChI=1S/C21H20N4O2S2.C21H20N4OS2.C20H18N4O2S2.C19H17N5O2S2.C18H17N5OS3/c1-27-11-6-12-29(26)21-17(22)16-18(14-7-3-2-4-8-14)24-19(25-20(16)28-21)15-9-5-10-23-13-15;1-2-3-12-28(26)21-17(22)16-18(14-8-5-4-6-9-14)24-19(25-20(16)27-21)15-10-7-11-23-13-15;1-26-10-11-28(25)20-16(21)15-17(13-6-3-2-4-7-13)23-18(24-19(15)27-20)14-8-5-9-22-12-14;1-26-10-11-28(25)19-14(20)13-15(12-6-3-2-4-7-12)23-17(24-18(13)27-19)16-21-8-5-9-22-16;1-2-3-7-27(24)18-14(19)13-15(12-9-25-10-21-12)22-16(23-17(13)26-18)11-5-4-6-20-8-11/h2-5,7-10,13H,6,11-12,22H2,1H3;4-11,13H,2-3,12,22H2,1H3;2-9,12H,10-11,21H2,1H3;2-9H,10-11,20H2,1H3;4-6,8-10H,2-3,7,19H2,1H3/t;28-;;;/m.0.../s1.

What are the key properties of 6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-4-yl)thieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine?

6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-4-yl)thieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine has a molecular weight of 2070.71 g/mol, XLogP of 20.33, 31 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-4-yl)thieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 157358242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).