5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol

C100H92ClN21O5S4 — CID 159172248

About 5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol

5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 159172248) has the molecular formula C100H92ClN21O5S4 and a molecular weight of 1831.70 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

• Compound Name: 5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
• PubChem CID: 159172248
• Molecular Formula: C100H92ClN21O5S4
• Molecular Weight: 1831.70 g/mol
• Exact Mass: 1829.62
• IUPAC Name: 5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
• SMILES: COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccc(OC)cc3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccc3Cl)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccn3)c12.Cn1ccnc1-c1nc(NCCCO)c2c(-c3ccccc3)c(-c3ccccc3)sc2n1
• InChI: InChI=1S/C26H25N5O2S.C25H22ClN5OS.C25H23N5OS.C24H22N6OS/c1-31-15-13-28-25(31)24-29-23(27-14-16-32-2)21-20(17-9-11-19(33-3)12-10-17)22(34-26(21)30-24)18-7-5-4-6-8-18;1-31-14-12-28-24(31)23-29-22(27-13-15-32-2)20-19(17-10-6-7-11-18(17)26)21(33-25(20)30-23)16-8-4-3-5-9-16;1-30-15-14-27-24(30)23-28-22(26-13-8-16-31)20-19(17-9-4-2-5-10-17)21(32-25(20)29-23)18-11-6-3-7-12-18;1-30-14-12-27-23(30)22-28-21(26-13-15-31-2)19-18(17-10-6-7-11-25-17)20(32-24(19)29-22)16-8-4-3-5-9-16/h4-13,15H,14,16H2,1-3H3,(H,27,29,30);3-12,14H,13,15H2,1-2H3,(H,27,29,30);2-7,9-12,14-15,31H,8,13,16H2,1H3,(H,26,28,29);3-12,14H,13,15H2,1-2H3,(H,26,28,29)
• InChIKey: KLVKUSVUWNNVJO-UHFFFAOYSA-N
• XLogP: 21.73
• TPSA: 292.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 29
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1831.70
LogP ≤ 5	21.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol?

The IUPAC name of 5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol (CID 159172248) is 5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol.

What is the SMILES notation for 5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol?

The canonical SMILES for 5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol is COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccc(OC)cc3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccc3Cl)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccn3)c12.Cn1ccnc1-c1nc(NCCCO)c2c(-c3ccccc3)c(-c3ccccc3)sc2n1.

What is the InChIKey of 5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol?

The InChIKey is KLVKUSVUWNNVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S.C25H22ClN5OS.C25H23N5OS.C24H22N6OS/c1-31-15-13-28-25(31)24-29-23(27-14-16-32-2)21-20(17-9-11-19(33-3)12-10-17)22(34-26(21)30-24)18-7-5-4-6-8-18;1-31-14-12-28-24(31)23-29-22(27-13-15-32-2)20-19(17-10-6-7-11-18(17)26)21(33-25(20)30-23)16-8-4-3-5-9-16;1-30-15-14-27-24(30)23-28-22(26-13-8-16-31)20-19(17-9-4-2-5-10-17)21(32-25(20)29-23)18-11-6-3-7-12-18;1-30-14-12-27-23(30)22-28-21(26-13-15-31-2)19-18(17-10-6-7-11-25-17)20(32-24(19)29-22)16-8-4-3-5-9-16/h4-13,15H,14,16H2,1-3H3,(H,27,29,30);3-12,14H,13,15H2,1-2H3,(H,27,29,30);2-7,9-12,14-15,31H,8,13,16H2,1H3,(H,26,28,29);3-12,14H,13,15H2,1-2H3,(H,26,28,29).

What are the key properties of 5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol?

5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 1831.70 g/mol, XLogP of 21.73, 29 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;3-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 159172248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).