About (2R)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-5-oxooxolane-2-carboxamide
(2R)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-5-oxooxolane-2-carboxamide (PubChem CID 58491546) has the molecular formula C23H24N4O5S
and a molecular weight of 468.54 g/mol. Its IUPAC name is (2R)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-5-oxooxolane-2-carboxamide.
Molecular Properties
| Compound Name | (2R)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-5-oxooxolane-2-carboxamide |
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| PubChem CID | 58491546 |
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| Molecular Formula | C23H24N4O5S |
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| Molecular Weight | 468.54 g/mol |
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| Exact Mass | 468.15 |
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| IUPAC Name | (2R)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-5-oxooxolane-2-carboxamide |
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| SMILES | CN(Cc1cc2nc(-c3cccc(O)c3)nc(N3CCOCC3)c2s1)C(=O)[C@H]1CCC(=O)O1 |
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| InChI | InChI=1S/C23H24N4O5S/c1-26(23(30)18-5-6-19(29)32-18)13-16-12-17-20(33-16)22(27-7-9-31-10-8-27)25-21(24-17)14-3-2-4-15(28)11-14/h2-4,11-12,18,28H,5-10,13H2,1H3/t18-/m1/s1 |
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| InChIKey | REEIBLBASHFDSH-GOSISDBHSA-N |
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| XLogP | 2.56 |
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| TPSA | 105.09 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 468.54 |
| LogP ≤ 5 | 2.56 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |
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Frequently Asked Questions
What is the IUPAC name of (2R)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-5-oxooxolane-2-carboxamide?
The IUPAC name of (2R)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-5-oxooxolane-2-carboxamide (CID 58491546) is (2R)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-5-oxooxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-5-oxooxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-5-oxooxolane-2-carboxamide is CN(Cc1cc2nc(-c3cccc(O)c3)nc(N3CCOCC3)c2s1)C(=O)[C@H]1CCC(=O)O1.
What is the InChIKey of (2R)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-5-oxooxolane-2-carboxamide?
The InChIKey is REEIBLBASHFDSH-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24N4O5S/c1-26(23(30)18-5-6-19(29)32-18)13-16-12-17-20(33-16)22(27-7-9-31-10-8-27)25-21(24-17)14-3-2-4-15(28)11-14/h2-4,11-12,18,28H,5-10,13H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-5-oxooxolane-2-carboxamide?
(2R)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-5-oxooxolane-2-carboxamide has a molecular weight of 468.54 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-5-oxooxolane-2-carboxamide is sourced from PubChem (CID 58491546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).