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

C125H114Cl2N26O6S5 — CID 159118094

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

5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[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 (PubChem CID 159118094) has the molecular formula C125H114Cl2N26O6S5 and a molecular weight of 2307.70 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;6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[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.

Molecular Properties

• Compound Name: 5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[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
• PubChem CID: 159118094
• Molecular Formula: C125H114Cl2N26O6S5
• Molecular Weight: 2307.70 g/mol
• Exact Mass: 2304.74
• IUPAC Name: 5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[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
• SMILES: COCCNc1nc(-c2cn(C)cn2)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3cccc(OC)c3)c(-c3ccccc3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccc3Cl)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccn3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3Cl)c(-c3ccccc3)c12
• InChI: InChI=1S/C26H25N5O2S.2C25H22ClN5OS.C25H23N5OS.C24H22N6OS/c1-31-14-12-28-25(31)24-29-23(27-13-15-32-2)21-20(17-8-5-4-6-9-17)22(34-26(21)30-24)18-10-7-11-19(16-18)33-3;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;1-31-14-12-28-24(31)23-29-22(27-13-15-32-2)20-19(16-8-4-3-5-9-16)21(33-25(20)30-23)17-10-6-7-11-18(17)26;1-30-15-19(27-16-30)23-28-24(26-13-14-31-2)21-20(17-9-5-3-6-10-17)22(32-25(21)29-23)18-11-7-4-8-12-18;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/h4-12,14,16H,13,15H2,1-3H3,(H,27,29,30);2*3-12,14H,13,15H2,1-2H3,(H,27,29,30);3-12,15-16H,13-14H2,1-2H3,(H,26,28,29);3-12,14H,13,15H2,1-2H3,(H,26,28,29)
• InChIKey: KFILOOFRLJFTKE-UHFFFAOYSA-N
• XLogP: 28.13
• TPSA: 346.42 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 36
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2307.70
LogP ≤ 5	28.13
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 5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[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?

The IUPAC name of 5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[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 (CID 159118094) is 5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[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.

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;6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[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?

The canonical SMILES for 5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[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 is COCCNc1nc(-c2cn(C)cn2)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3cccc(OC)c3)c(-c3ccccc3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccc3Cl)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccn3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3Cl)c(-c3ccccc3)c12.

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

The InChIKey is KFILOOFRLJFTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S.2C25H22ClN5OS.C25H23N5OS.C24H22N6OS/c1-31-14-12-28-25(31)24-29-23(27-13-15-32-2)21-20(17-8-5-4-6-9-17)22(34-26(21)30-24)18-10-7-11-19(16-18)33-3;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;1-31-14-12-28-24(31)23-29-22(27-13-15-32-2)20-19(16-8-4-3-5-9-16)21(33-25(20)30-23)17-10-6-7-11-18(17)26;1-30-15-19(27-16-30)23-28-24(26-13-14-31-2)21-20(17-9-5-3-6-10-17)22(32-25(21)29-23)18-11-7-4-8-12-18;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/h4-12,14,16H,13,15H2,1-3H3,(H,27,29,30);2*3-12,14H,13,15H2,1-2H3,(H,27,29,30);3-12,15-16H,13-14H2,1-2H3,(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;6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[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?

5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[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 has a molecular weight of 2307.70 g/mol, XLogP of 28.13, 36 rotatable bonds, 5 hydrogen bond donors, and 37 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;6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-(3-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[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 is sourced from PubChem (CID 159118094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).