About disodium;hydride;N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]formamide
disodium;hydride;N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]formamide (PubChem CID 175456289) has the molecular formula C20H20N8Na2O5
and a molecular weight of 498.41 g/mol. Its IUPAC name is disodium;hydride;N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]formamide.
Molecular Properties
| Compound Name | disodium;hydride;N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]formamide |
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| PubChem CID | 175456289 |
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| Molecular Formula | C20H20N8Na2O5 |
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| Molecular Weight | 498.41 g/mol |
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| Exact Mass | 498.14 |
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| IUPAC Name | disodium;hydride;N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]formamide |
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| SMILES | COc1ccccc1Oc1c(NC=O)nc(-c2ccnc(-c3nn[nH]n3)c2)nc1OCCO.[H-].[H-].[Na+].[Na+] |
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| InChI | InChI=1S/C20H18N8O5.2Na.2H/c1-31-14-4-2-3-5-15(14)33-16-19(22-11-30)23-17(24-20(16)32-9-8-29)12-6-7-21-13(10-12)18-25-27-28-26-18;;;;/h2-7,10-11,29H,8-9H2,1H3,(H,22,23,24,30)(H,25,26,27,28);;;;/q;2*+1;2*-1 |
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| InChIKey | OZNCOEXHKIGETL-UHFFFAOYSA-N |
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| XLogP | -4.31 |
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| TPSA | 170.15 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 10 |
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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 | 498.41 |
| LogP ≤ 5 | -4.31 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 11 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of disodium;hydride;N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]formamide?
The IUPAC name of disodium;hydride;N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]formamide (CID 175456289) is disodium;hydride;N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]formamide.
What is the SMILES notation for disodium;hydride;N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]formamide?
The canonical SMILES for disodium;hydride;N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]formamide is COc1ccccc1Oc1c(NC=O)nc(-c2ccnc(-c3nn[nH]n3)c2)nc1OCCO.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]formamide?
The InChIKey is OZNCOEXHKIGETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O5.2Na.2H/c1-31-14-4-2-3-5-15(14)33-16-19(22-11-30)23-17(24-20(16)32-9-8-29)12-6-7-21-13(10-12)18-25-27-28-26-18;;;;/h2-7,10-11,29H,8-9H2,1H3,(H,22,23,24,30)(H,25,26,27,28);;;;/q;2*+1;2*-1.
What are the key properties of disodium;hydride;N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]formamide?
disodium;hydride;N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]formamide has a molecular weight of 498.41 g/mol, XLogP of -4.31, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)-4-pyridinyl]pyrimidin-4-yl]formamide is sourced from PubChem (CID 175456289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).