About [4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol
[4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol (PubChem CID 70037477) has the molecular formula C19H17N5OS2
and a molecular weight of 395.51 g/mol. Its IUPAC name is [4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol.
Molecular Properties
| Compound Name | [4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol |
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| PubChem CID | 70037477 |
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| Molecular Formula | C19H17N5OS2 |
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| Molecular Weight | 395.51 g/mol |
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| Exact Mass | 395.09 |
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| IUPAC Name | [4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol |
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| SMILES | Cc1cc(CO)sc1C=NNc1ncnc2sc(Cc3ccccn3)cc12 |
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| InChI | InChI=1S/C19H17N5OS2/c1-12-6-15(10-25)26-17(12)9-23-24-18-16-8-14(27-19(16)22-11-21-18)7-13-4-2-3-5-20-13/h2-6,8-9,11,25H,7,10H2,1H3,(H,21,22,24) |
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| InChIKey | WCBYGUXCPPAUBL-UHFFFAOYSA-N |
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| XLogP | 3.99 |
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| TPSA | 83.29 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 27 |
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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 | 395.51 |
| LogP ≤ 5 | 3.99 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol?
The IUPAC name of [4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol (CID 70037477) is [4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol.
What is the SMILES notation for [4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol?
The canonical SMILES for [4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol is Cc1cc(CO)sc1C=NNc1ncnc2sc(Cc3ccccn3)cc12.
What is the InChIKey of [4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol?
The InChIKey is WCBYGUXCPPAUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS2/c1-12-6-15(10-25)26-17(12)9-23-24-18-16-8-14(27-19(16)22-11-21-18)7-13-4-2-3-5-20-13/h2-6,8-9,11,25H,7,10H2,1H3,(H,21,22,24).
What are the key properties of [4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol?
[4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol has a molecular weight of 395.51 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol is sourced from PubChem (CID 70037477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).