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;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidine

C126H116ClN27O6S5 — CID 159127943

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;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidine

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;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidine (PubChem CID 159127943) has the molecular formula C126H116ClN27O6S5 and a molecular weight of 2300.28 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;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidine.

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;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidine
• PubChem CID: 159127943
• Molecular Formula: C126H116ClN27O6S5
• Molecular Weight: 2300.28 g/mol
• Exact Mass: 2297.79
• 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;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidine
• SMILES: COC1CCN(c2nc(-c3nccn3C)nc3sc(-c4ccccc4)c(-c4ccccc4)c23)C1.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccc(OC)cc3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccc3Cl)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccn3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccncc3)c12
• InChI: InChI=1S/C27H25N5OS.C26H25N5O2S.C25H22ClN5OS.2C24H22N6OS/c1-31-16-14-28-26(31)24-29-25(32-15-13-20(17-32)33-2)22-21(18-9-5-3-6-10-18)23(34-27(22)30-24)19-11-7-4-8-12-19;1-31-15-13-28-25(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;1-30-14-12-27-23(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;1-30-14-12-27-23(30)22-28-21(26-13-15-31-2)19-18(16-8-10-25-11-9-16)20(32-24(19)29-22)17-6-4-3-5-7-17/h3-12,14,16,20H,13,15,17H2,1-2H3;4-13,15H,14,16H2,1-3H3,(H,27,29,30);3-12,14H,13,15H2,1-2H3,(H,27,29,30);2*3-12,14H,13,15H2,1-2H3,(H,26,28,29)
• InChIKey: KGMZEOUPLIBZFT-UHFFFAOYSA-N
• XLogP: 27.04
• TPSA: 350.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 38
• Rotatable Bonds: 34
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2300.28
LogP ≤ 5	27.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	38

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;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidine?

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;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidine (CID 159127943) 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;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidine.

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;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidine?

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;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidine is COC1CCN(c2nc(-c3nccn3C)nc3sc(-c4ccccc4)c(-c4ccccc4)c23)C1.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccc(OC)cc3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccc3Cl)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccn3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccncc3)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;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;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidine?

The InChIKey is KGMZEOUPLIBZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5OS.C26H25N5O2S.C25H22ClN5OS.2C24H22N6OS/c1-31-16-14-28-26(31)24-29-25(32-15-13-20(17-32)33-2)22-21(18-9-5-3-6-10-18)23(34-27(22)30-24)19-11-7-4-8-12-19;1-31-15-13-28-25(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;1-30-14-12-27-23(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;1-30-14-12-27-23(30)22-28-21(26-13-15-31-2)19-18(16-8-10-25-11-9-16)20(32-24(19)29-22)17-6-4-3-5-7-17/h3-12,14,16,20H,13,15,17H2,1-2H3;4-13,15H,14,16H2,1-3H3,(H,27,29,30);3-12,14H,13,15H2,1-2H3,(H,27,29,30);2*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;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidine?

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;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidine has a molecular weight of 2300.28 g/mol, XLogP of 27.04, 34 rotatable bonds, 4 hydrogen bond donors, and 38 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;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-phenyl-5-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine;4-(3-methoxypyrrolidin-1-yl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 159127943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).