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

C101H91ClN20O5S4 — CID 161053093

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

6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[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 (PubChem CID 161053093) has the molecular formula C101H91ClN20O5S4 and a molecular weight of 1828.69 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[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.

Molecular Properties

• Compound Name: 6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[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
• PubChem CID: 161053093
• Molecular Formula: C101H91ClN20O5S4
• Molecular Weight: 1828.69 g/mol
• Exact Mass: 1826.61
• IUPAC Name: 6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[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
• SMILES: COCCNc1nc(-c2ccncn2)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.COCCNc1nc(-c2cn(C)cn2)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3cccc(OC)c3)c(-c3ccccc3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3Cl)c(-c3ccccc3)c12
• InChI: InChI=1S/C26H25N5O2S.C25H22ClN5OS.C25H23N5OS.C25H21N5OS/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(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;1-31-15-14-27-24-21-20(17-8-4-2-5-9-17)22(18-10-6-3-7-11-18)32-25(21)30-23(29-24)19-12-13-26-16-28-19/h4-12,14,16H,13,15H2,1-3H3,(H,27,29,30);3-12,14H,13,15H2,1-2H3,(H,27,29,30);3-12,15-16H,13-14H2,1-2H3,(H,26,28,29);2-13,16H,14-15H2,1H3,(H,27,29,30)
• InChIKey: UCJXCZQCZWHRJQ-UHFFFAOYSA-N
• XLogP: 22.65
• TPSA: 276.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 29
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1828.69
LogP ≤ 5	22.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[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?

The IUPAC name of 6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[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 (CID 161053093) is 6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[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.

What is the SMILES notation for 6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[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?

The canonical SMILES for 6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[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 is COCCNc1nc(-c2ccncn2)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.COCCNc1nc(-c2cn(C)cn2)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3cccc(OC)c3)c(-c3ccccc3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3Cl)c(-c3ccccc3)c12.

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

The InChIKey is UCJXCZQCZWHRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S.C25H22ClN5OS.C25H23N5OS.C25H21N5OS/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(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;1-31-15-14-27-24-21-20(17-8-4-2-5-9-17)22(18-10-6-3-7-11-18)32-25(21)30-23(29-24)19-12-13-26-16-28-19/h4-12,14,16H,13,15H2,1-3H3,(H,27,29,30);3-12,14H,13,15H2,1-2H3,(H,27,29,30);3-12,15-16H,13-14H2,1-2H3,(H,26,28,29);2-13,16H,14-15H2,1H3,(H,27,29,30).

What are the key properties of 6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[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?

6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[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 has a molecular weight of 1828.69 g/mol, XLogP of 22.65, 29 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chlorophenyl)-N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[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 is sourced from PubChem (CID 161053093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).