6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine

C99H97N17O7S13 — CID 157213480

About 6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine

6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine (PubChem CID 157213480) has the molecular formula C99H97N17O7S13 and a molecular weight of 2053.85 g/mol. Its IUPAC name is 6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
• PubChem CID: 157213480
• Molecular Formula: C99H97N17O7S13
• Molecular Weight: 2053.85 g/mol
• Exact Mass: 2051.41
• IUPAC Name: 6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
• SMILES: CC(C)S(=O)c1sc2nc(-c3cccs3)cc(-c3nccn3C)c2c1N.CCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3cocn3)nc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccn3C)nc(-c3ccccc3)c2c1N.COCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N
• InChI: InChI=1S/C21H20N2O2S3.C21H20N2OS3.C20H21N5OS2.C19H18N4O2S2.C18H18N4OS3/c1-25-10-6-12-28(24)21-19(22)18-15(14-7-3-2-4-8-14)13-16(23-20(18)27-21)17-9-5-11-26-17;1-2-3-12-27(24)21-19(22)18-15(14-8-5-4-6-9-14)13-16(23-20(18)26-21)17-10-7-11-25-17;1-3-4-12-28(26)20-15(21)14-16(13-8-6-5-7-9-13)23-17(24-19(14)27-20)18-22-10-11-25(18)2;1-2-3-9-27(24)19-15(20)14-16(12-7-5-4-6-8-12)22-17(23-18(14)26-19)13-10-25-11-21-13;1-10(2)26(23)18-15(19)14-11(16-20-6-7-22(16)3)9-12(21-17(14)25-18)13-5-4-8-24-13/h2-5,7-9,11,13H,6,10,12,22H2,1H3;4-11,13H,2-3,12,22H2,1H3;5-11H,3-4,12,21H2,1-2H3;4-8,10-11H,2-3,9,20H2,1H3;4-10H,19H2,1-3H3
• InChIKey: ASDNJTXXXCFZIR-UHFFFAOYSA-N
• XLogP: 24.88
• TPSA: 376.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 29
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2053.85
LogP ≤ 5	24.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?

The IUPAC name of 6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine (CID 157213480) is 6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine.

What is the SMILES notation for 6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?

The canonical SMILES for 6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine is CC(C)S(=O)c1sc2nc(-c3cccs3)cc(-c3nccn3C)c2c1N.CCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3cocn3)nc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccn3C)nc(-c3ccccc3)c2c1N.COCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.

What is the InChIKey of 6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?

The InChIKey is ASDNJTXXXCFZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S3.C21H20N2OS3.C20H21N5OS2.C19H18N4O2S2.C18H18N4OS3/c1-25-10-6-12-28(24)21-19(22)18-15(14-7-3-2-4-8-14)13-16(23-20(18)27-21)17-9-5-11-26-17;1-2-3-12-27(24)21-19(22)18-15(14-8-5-4-6-9-14)13-16(23-20(18)26-21)17-10-7-11-25-17;1-3-4-12-28(26)20-15(21)14-16(13-8-6-5-7-9-13)23-17(24-19(14)27-20)18-22-10-11-25(18)2;1-2-3-9-27(24)19-15(20)14-16(12-7-5-4-6-8-12)22-17(23-18(14)26-19)13-10-25-11-21-13;1-10(2)26(23)18-15(19)14-11(16-20-6-7-22(16)3)9-12(21-17(14)25-18)13-5-4-8-24-13/h2-5,7-9,11,13H,6,10,12,22H2,1H3;4-11,13H,2-3,12,22H2,1H3;5-11H,3-4,12,21H2,1-2H3;4-8,10-11H,2-3,9,20H2,1H3;4-10H,19H2,1-3H3.

What are the key properties of 6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?

6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine has a molecular weight of 2053.85 g/mol, XLogP of 24.88, 29 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(3-methoxypropylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 157213480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).