About N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide
N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide (PubChem CID 155516445) has the molecular formula C23H30N8O3S
and a molecular weight of 498.61 g/mol. Its IUPAC name is N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide.
Molecular Properties
| Compound Name | N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide |
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| PubChem CID | 155516445 |
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| Molecular Formula | C23H30N8O3S |
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| Molecular Weight | 498.61 g/mol |
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| Exact Mass | 498.22 |
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| IUPAC Name | N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide |
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| SMILES | COCC(=O)NC1CCCN(Cc2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)C1 |
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| InChI | InChI=1S/C23H30N8O3S/c1-33-14-19(32)27-16-3-2-4-30(12-16)13-17-9-18-20(35-17)22(31-5-7-34-8-6-31)29-21(28-18)15-10-25-23(24)26-11-15/h9-11,16H,2-8,12-14H2,1H3,(H,27,32)(H2,24,25,26) |
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| InChIKey | JZPCEGXIWMLQQJ-UHFFFAOYSA-N |
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| XLogP | 1.29 |
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| TPSA | 131.62 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 498.61 |
| LogP ≤ 5 | 1.29 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 11 |
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Frequently Asked Questions
What is the IUPAC name of N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide (CID 155516445) is N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide is COCC(=O)NC1CCCN(Cc2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)C1.
What is the InChIKey of N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide?
The InChIKey is JZPCEGXIWMLQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O3S/c1-33-14-19(32)27-16-3-2-4-30(12-16)13-17-9-18-20(35-17)22(31-5-7-34-8-6-31)29-21(28-18)15-10-25-23(24)26-11-15/h9-11,16H,2-8,12-14H2,1H3,(H,27,32)(H2,24,25,26).
What are the key properties of N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide?
N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide has a molecular weight of 498.61 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 155516445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).