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

C128H122N26O6S5 — CID 159747003

About 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-(3-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;bis(N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-(4-methylphenyl)-5-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)-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-(3-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;bis(N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-(4-methylphenyl)-5-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 (PubChem CID 159747003) has the molecular formula C128H122N26O6S5 and a molecular weight of 2280.89 g/mol. Its IUPAC name is 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-(3-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;bis(N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-(4-methylphenyl)-5-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.

Molecular Properties

• Compound Name: 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-(3-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;bis(N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-(4-methylphenyl)-5-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
• PubChem CID: 159747003
• Molecular Formula: C128H122N26O6S5
• Molecular Weight: 2280.89 g/mol
• Exact Mass: 2278.86
• IUPAC Name: 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-(3-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;bis(N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-(4-methylphenyl)-5-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
• SMILES: COCCNc1nc(-c2nccn2C)nc2sc(-c3ccc(C)cc3)c(-c3ccccc3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccc(C)cc3)c(-c3ccccc3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3cccc(C)c3)c(-c3ccccc3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccc(OC)cc3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccn3)c12
• InChI: InChI=1S/C26H25N5O2S.3C26H25N5OS.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;1-17-8-7-11-19(16-17)22-20(18-9-5-4-6-10-18)21-23(27-13-15-32-3)29-24(30-26(21)33-22)25-28-12-14-31(25)2;2*1-17-9-11-19(12-10-17)22-20(18-7-5-4-6-8-18)21-23(27-14-16-32-3)29-24(30-26(21)33-22)25-28-13-15-31(25)2;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);4-12,14,16H,13,15H2,1-3H3,(H,27,29,30);2*4-13,15H,14,16H2,1-3H3,(H,27,29,30);3-12,14H,13,15H2,1-2H3,(H,26,28,29)
• InChIKey: NDDWUMVRAMNHSM-UHFFFAOYSA-N
• XLogP: 27.75
• TPSA: 346.42 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 36
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2280.89
LogP ≤ 5	27.75
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 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-(3-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;bis(N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-(4-methylphenyl)-5-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?

The IUPAC name of 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-(3-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;bis(N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-(4-methylphenyl)-5-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 (CID 159747003) is 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-(3-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;bis(N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-(4-methylphenyl)-5-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.

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

The canonical SMILES for 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-(3-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;bis(N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-(4-methylphenyl)-5-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 is COCCNc1nc(-c2nccn2C)nc2sc(-c3ccc(C)cc3)c(-c3ccccc3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccc(C)cc3)c(-c3ccccc3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3cccc(C)c3)c(-c3ccccc3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccc(OC)cc3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccn3)c12.

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

The InChIKey is NDDWUMVRAMNHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S.3C26H25N5OS.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;1-17-8-7-11-19(16-17)22-20(18-9-5-4-6-10-18)21-23(27-13-15-32-3)29-24(30-26(21)33-22)25-28-12-14-31(25)2;2*1-17-9-11-19(12-10-17)22-20(18-7-5-4-6-8-18)21-23(27-14-16-32-3)29-24(30-26(21)33-22)25-28-13-15-31(25)2;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);4-12,14,16H,13,15H2,1-3H3,(H,27,29,30);2*4-13,15H,14,16H2,1-3H3,(H,27,29,30);3-12,14H,13,15H2,1-2H3,(H,26,28,29).

What are the key properties of 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-(3-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;bis(N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-(4-methylphenyl)-5-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)-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-(3-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;bis(N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-(4-methylphenyl)-5-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 has a molecular weight of 2280.89 g/mol, XLogP of 27.75, 36 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(3-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;bis(N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-6-(4-methylphenyl)-5-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 is sourced from PubChem (CID 159747003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).