N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;1-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;[1-[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol

C128H117N25O5S5 — CID 157112015

About N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;1-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;[1-[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol

N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;1-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;[1-[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol (PubChem CID 157112015) has the molecular formula C128H117N25O5S5 and a molecular weight of 2245.85 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;1-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;[1-[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;1-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;[1-[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
• PubChem CID: 157112015
• Molecular Formula: C128H117N25O5S5
• Molecular Weight: 2245.85 g/mol
• Exact Mass: 2243.83
• IUPAC Name: N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;1-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;[1-[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
• SMILES: CC(O)CNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.COCCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.COCCNc1nc(-c2ccncn2)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.Cn1ccnc1-c1nc(N2CCC(CO)C2)c2c(-c3ccccc3)c(-c3ccccc3)sc2n1
• InChI: InChI=1S/C27H25N5OS.C26H25N5OS.2C25H23N5OS.C25H21N5OS/c1-31-15-13-28-26(31)24-29-25(32-14-12-18(16-32)17-33)22-21(19-8-4-2-5-9-19)23(34-27(22)30-24)20-10-6-3-7-11-20;1-31-16-15-28-25(31)24-29-23(27-14-9-17-32-2)21-20(18-10-5-3-6-11-18)22(33-26(21)30-24)19-12-7-4-8-13-19;1-30-15-13-27-24(30)23-28-22(26-14-16-31-2)20-19(17-9-5-3-6-10-17)21(32-25(20)29-23)18-11-7-4-8-12-18;1-16(31)15-27-22-20-19(17-9-5-3-6-10-17)21(18-11-7-4-8-12-18)32-25(20)29-23(28-22)24-26-13-14-30(24)2;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/h2-11,13,15,18,33H,12,14,16-17H2,1H3;3-8,10-13,15-16H,9,14,17H2,1-2H3,(H,27,29,30);3-13,15H,14,16H2,1-2H3,(H,26,28,29);3-14,16,31H,15H2,1-2H3,(H,27,28,29);2-13,16H,14-15H2,1H3,(H,27,29,30)
• InChIKey: AGYSCTHABIEJTB-UHFFFAOYSA-N
• XLogP: 27.36
• TPSA: 345.47 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 33
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2245.85
LogP ≤ 5	27.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

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)-5,6-diphenyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;1-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;[1-[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol?

The IUPAC name of N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;1-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;[1-[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol (CID 157112015) is N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;1-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;[1-[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol.

What is the SMILES notation for N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;1-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;[1-[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol?

The canonical SMILES for N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;1-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;[1-[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol is CC(O)CNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.COCCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.COCCNc1nc(-c2ccncn2)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.Cn1ccnc1-c1nc(N2CCC(CO)C2)c2c(-c3ccccc3)c(-c3ccccc3)sc2n1.

What is the InChIKey of N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;1-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;[1-[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol?

The InChIKey is AGYSCTHABIEJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5OS.C26H25N5OS.2C25H23N5OS.C25H21N5OS/c1-31-15-13-28-26(31)24-29-25(32-14-12-18(16-32)17-33)22-21(19-8-4-2-5-9-19)23(34-27(22)30-24)20-10-6-3-7-11-20;1-31-16-15-28-25(31)24-29-23(27-14-9-17-32-2)21-20(18-10-5-3-6-11-18)22(33-26(21)30-24)19-12-7-4-8-13-19;1-30-15-13-27-24(30)23-28-22(26-14-16-31-2)20-19(17-9-5-3-6-10-17)21(32-25(20)29-23)18-11-7-4-8-12-18;1-16(31)15-27-22-20-19(17-9-5-3-6-10-17)21(18-11-7-4-8-12-18)32-25(20)29-23(28-22)24-26-13-14-30(24)2;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/h2-11,13,15,18,33H,12,14,16-17H2,1H3;3-8,10-13,15-16H,9,14,17H2,1-2H3,(H,27,29,30);3-13,15H,14,16H2,1-2H3,(H,26,28,29);3-14,16,31H,15H2,1-2H3,(H,27,28,29);2-13,16H,14-15H2,1H3,(H,27,29,30).

What are the key properties of N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;1-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;[1-[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol?

N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;1-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;[1-[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol has a molecular weight of 2245.85 g/mol, XLogP of 27.36, 33 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-5,6-diphenyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;1-[[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol;[1-[2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 157112015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).