4-(4-fluorophenyl)-6-(2-methoxyethylsulfinyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(R)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;2-[(S)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine

C100H93F3N22O10S10 — CID 157410766

About 4-(4-fluorophenyl)-6-(2-methoxyethylsulfinyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(R)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;2-[(S)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine

4-(4-fluorophenyl)-6-(2-methoxyethylsulfinyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(R)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;2-[(S)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine (PubChem CID 157410766) has the molecular formula C100H93F3N22O10S10 and a molecular weight of 2140.65 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-(2-methoxyethylsulfinyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(R)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;2-[(S)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 4-(4-fluorophenyl)-6-(2-methoxyethylsulfinyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(R)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;2-[(S)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine
• PubChem CID: 157410766
• Molecular Formula: C100H93F3N22O10S10
• Molecular Weight: 2140.65 g/mol
• Exact Mass: 2138.46
• IUPAC Name: 4-(4-fluorophenyl)-6-(2-methoxyethylsulfinyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(R)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;2-[(S)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine
• SMILES: COCCC[S@@](=O)c1sc2nc(-c3cccnc3)cc(-c3cn(C)cn3)c2c1N.COCCC[S@](=O)c1sc2nc(-c3cccnc3)cc(-c3cn(C)cn3)c2c1N.COCCS(=O)c1sc2nc(-c3cccnc3)nc(-c3ccc(F)cc3)c2c1N.COCC[S@@](=O)c1sc2nc(-c3cccnc3)nc(-c3ccc(F)cc3)c2c1N.COCC[S@](=O)c1sc2nc(-c3cccnc3)nc(-c3ccc(F)cc3)c2c1N
• InChI: InChI=1S/3C20H17FN4O2S2.2C20H21N5O2S2/c3*1-27-9-10-29(26)20-16(22)15-17(12-4-6-14(21)7-5-12)24-18(25-19(15)28-20)13-3-2-8-23-11-13;2*1-25-11-16(23-12-25)14-9-15(13-5-3-6-22-10-13)24-19-17(14)18(21)20(28-19)29(26)8-4-7-27-2/h3*2-8,11H,9-10,22H2,1H3;2*3,5-6,9-12H,4,7-8,21H2,1-2H3/t2*29-;;2*29-/m10.10/s1
• InChIKey: BOGLSPNGONCAHF-AXSCGFIOSA-N
• XLogP: 18.66
• TPSA: 464.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 32
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2140.65
LogP ≤ 5	18.66
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-(2-methoxyethylsulfinyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(R)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;2-[(S)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine?

The IUPAC name of 4-(4-fluorophenyl)-6-(2-methoxyethylsulfinyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(R)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;2-[(S)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine (CID 157410766) is 4-(4-fluorophenyl)-6-(2-methoxyethylsulfinyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(R)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;2-[(S)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine.

What is the SMILES notation for 4-(4-fluorophenyl)-6-(2-methoxyethylsulfinyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(R)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;2-[(S)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine?

The canonical SMILES for 4-(4-fluorophenyl)-6-(2-methoxyethylsulfinyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(R)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;2-[(S)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine is COCCC[S@@](=O)c1sc2nc(-c3cccnc3)cc(-c3cn(C)cn3)c2c1N.COCCC[S@](=O)c1sc2nc(-c3cccnc3)cc(-c3cn(C)cn3)c2c1N.COCCS(=O)c1sc2nc(-c3cccnc3)nc(-c3ccc(F)cc3)c2c1N.COCC[S@@](=O)c1sc2nc(-c3cccnc3)nc(-c3ccc(F)cc3)c2c1N.COCC[S@](=O)c1sc2nc(-c3cccnc3)nc(-c3ccc(F)cc3)c2c1N.

What is the InChIKey of 4-(4-fluorophenyl)-6-(2-methoxyethylsulfinyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(R)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;2-[(S)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine?

The InChIKey is BOGLSPNGONCAHF-AXSCGFIOSA-N. The full InChI is InChI=1S/3C20H17FN4O2S2.2C20H21N5O2S2/c3*1-27-9-10-29(26)20-16(22)15-17(12-4-6-14(21)7-5-12)24-18(25-19(15)28-20)13-3-2-8-23-11-13;2*1-25-11-16(23-12-25)14-9-15(13-5-3-6-22-10-13)24-19-17(14)18(21)20(28-19)29(26)8-4-7-27-2/h3*2-8,11H,9-10,22H2,1H3;2*3,5-6,9-12H,4,7-8,21H2,1-2H3/t2*29-;;2*29-/m10.10/s1.

What are the key properties of 4-(4-fluorophenyl)-6-(2-methoxyethylsulfinyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(R)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;2-[(S)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine?

4-(4-fluorophenyl)-6-(2-methoxyethylsulfinyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(R)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;2-[(S)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine has a molecular weight of 2140.65 g/mol, XLogP of 18.66, 32 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-fluorophenyl)-6-(2-methoxyethylsulfinyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(S)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;4-(4-fluorophenyl)-6-[(R)-2-methoxyethylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;2-[(S)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine;2-[(R)-3-methoxypropylsulfinyl]-4-(1-methylimidazol-4-yl)-6-pyridin-3-ylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 157410766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).