N-(2-methoxyethyl)-6-(3-methoxyphenyl)-2-[1-[[2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenylthieno[3,2-d]pyrimidin-4-yl]oxymethyl]imidazol-2-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine

C51H46N10O4S2 — CID 142506587

About N-(2-methoxyethyl)-6-(3-methoxyphenyl)-2-[1-[[2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenylthieno[3,2-d]pyrimidin-4-yl]oxymethyl]imidazol-2-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine

N-(2-methoxyethyl)-6-(3-methoxyphenyl)-2-[1-[[2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenylthieno[3,2-d]pyrimidin-4-yl]oxymethyl]imidazol-2-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 142506587) has the molecular formula C51H46N10O4S2 and a molecular weight of 927.13 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-(3-methoxyphenyl)-2-[1-[[2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenylthieno[3,2-d]pyrimidin-4-yl]oxymethyl]imidazol-2-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-6-(3-methoxyphenyl)-2-[1-[[2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenylthieno[3,2-d]pyrimidin-4-yl]oxymethyl]imidazol-2-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 142506587
• Molecular Formula: C51H46N10O4S2
• Molecular Weight: 927.13 g/mol
• Exact Mass: 926.31
• IUPAC Name: N-(2-methoxyethyl)-6-(3-methoxyphenyl)-2-[1-[[2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenylthieno[3,2-d]pyrimidin-4-yl]oxymethyl]imidazol-2-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
• SMILES: COCCNc1nc(-c2nccn2COc2nc(-c3nccn3C)nc3c(-c4ccc(OCC(C)C)nc4)c(-c4ccccc4)sc23)nc2sc(-c3cccc(OC)c3)c(-c3ccccc3)c12
• InChI: InChI=1S/C51H46N10O4S2/c1-31(2)29-64-37-20-19-35(28-55-37)39-41-44(66-42(39)33-15-10-7-11-16-33)50(58-46(56-41)48-53-21-24-60(48)3)65-30-61-25-22-54-49(61)47-57-45(52-23-26-62-4)40-38(32-13-8-6-9-14-32)43(67-51(40)59-47)34-17-12-18-36(27-34)63-5/h6-22,24-25,27-28,31H,23,26,29-30H2,1-5H3,(H,52,57,59)
• InChIKey: GHYOEMFWTZGWPS-UHFFFAOYSA-N
• XLogP: 11.16
• TPSA: 149.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	927.13
LogP ≤ 5	11.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

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)-6-(3-methoxyphenyl)-2-[1-[[2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenylthieno[3,2-d]pyrimidin-4-yl]oxymethyl]imidazol-2-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of N-(2-methoxyethyl)-6-(3-methoxyphenyl)-2-[1-[[2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenylthieno[3,2-d]pyrimidin-4-yl]oxymethyl]imidazol-2-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 142506587) is N-(2-methoxyethyl)-6-(3-methoxyphenyl)-2-[1-[[2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenylthieno[3,2-d]pyrimidin-4-yl]oxymethyl]imidazol-2-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for N-(2-methoxyethyl)-6-(3-methoxyphenyl)-2-[1-[[2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenylthieno[3,2-d]pyrimidin-4-yl]oxymethyl]imidazol-2-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N-(2-methoxyethyl)-6-(3-methoxyphenyl)-2-[1-[[2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenylthieno[3,2-d]pyrimidin-4-yl]oxymethyl]imidazol-2-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine is COCCNc1nc(-c2nccn2COc2nc(-c3nccn3C)nc3c(-c4ccc(OCC(C)C)nc4)c(-c4ccccc4)sc23)nc2sc(-c3cccc(OC)c3)c(-c3ccccc3)c12.

What is the InChIKey of N-(2-methoxyethyl)-6-(3-methoxyphenyl)-2-[1-[[2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenylthieno[3,2-d]pyrimidin-4-yl]oxymethyl]imidazol-2-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?

The InChIKey is GHYOEMFWTZGWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H46N10O4S2/c1-31(2)29-64-37-20-19-35(28-55-37)39-41-44(66-42(39)33-15-10-7-11-16-33)50(58-46(56-41)48-53-21-24-60(48)3)65-30-61-25-22-54-49(61)47-57-45(52-23-26-62-4)40-38(32-13-8-6-9-14-32)43(67-51(40)59-47)34-17-12-18-36(27-34)63-5/h6-22,24-25,27-28,31H,23,26,29-30H2,1-5H3,(H,52,57,59).

What are the key properties of N-(2-methoxyethyl)-6-(3-methoxyphenyl)-2-[1-[[2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenylthieno[3,2-d]pyrimidin-4-yl]oxymethyl]imidazol-2-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?

N-(2-methoxyethyl)-6-(3-methoxyphenyl)-2-[1-[[2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenylthieno[3,2-d]pyrimidin-4-yl]oxymethyl]imidazol-2-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 927.13 g/mol, XLogP of 11.16, 17 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-6-(3-methoxyphenyl)-2-[1-[[2-(1-methylimidazol-2-yl)-7-[6-(2-methylpropoxy)-3-pyridinyl]-6-phenylthieno[3,2-d]pyrimidin-4-yl]oxymethyl]imidazol-2-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 142506587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).