About methane;2-propan-2-yloxypyrazine;tris(2-propan-2-yloxypyridine);3-propan-2-yloxypyridine;4-propan-2-yloxypyridine;2-propan-2-yloxypyrimidine
methane;2-propan-2-yloxypyrazine;tris(2-propan-2-yloxypyridine);3-propan-2-yloxypyridine;4-propan-2-yloxypyridine;2-propan-2-yloxypyrimidine (PubChem CID 157125867) has the molecular formula C58H91N9O7
and a molecular weight of 1026.42 g/mol. Its IUPAC name is methane;2-propan-2-yloxypyrazine;tris(2-propan-2-yloxypyridine);3-propan-2-yloxypyridine;4-propan-2-yloxypyridine;2-propan-2-yloxypyrimidine.
Molecular Properties
| Compound Name | methane;2-propan-2-yloxypyrazine;tris(2-propan-2-yloxypyridine);3-propan-2-yloxypyridine;4-propan-2-yloxypyridine;2-propan-2-yloxypyrimidine |
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| PubChem CID | 157125867 |
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| Molecular Formula | C58H91N9O7 |
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| Molecular Weight | 1026.42 g/mol |
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| Exact Mass | 1025.70 |
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| IUPAC Name | methane;2-propan-2-yloxypyrazine;tris(2-propan-2-yloxypyridine);3-propan-2-yloxypyridine;4-propan-2-yloxypyridine;2-propan-2-yloxypyrimidine |
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| SMILES | C.C.C.C.CC(C)Oc1ccccn1.CC(C)Oc1ccccn1.CC(C)Oc1ccccn1.CC(C)Oc1cccnc1.CC(C)Oc1ccncc1.CC(C)Oc1cnccn1.CC(C)Oc1ncccn1 |
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| InChI | InChI=1S/5C8H11NO.2C7H10N2O.4CH4/c1-7(2)10-8-3-5-9-6-4-8;1-7(2)10-8-4-3-5-9-6-8;3*1-7(2)10-8-5-3-4-6-9-8;1-6(2)10-7-5-8-3-4-9-7;1-6(2)10-7-8-4-3-5-9-7;;;;/h5*3-7H,1-2H3;2*3-6H,1-2H3;4*1H4 |
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| InChIKey | AIMPGVQZZVWSKX-UHFFFAOYSA-N |
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| XLogP | 14.42 |
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| TPSA | 180.62 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 16 |
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| Rotatable Bonds | 14 |
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| Heavy Atoms | 74 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1026.42 |
| LogP ≤ 5 | 14.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
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Frequently Asked Questions
What is the IUPAC name of methane;2-propan-2-yloxypyrazine;tris(2-propan-2-yloxypyridine);3-propan-2-yloxypyridine;4-propan-2-yloxypyridine;2-propan-2-yloxypyrimidine?
The IUPAC name of methane;2-propan-2-yloxypyrazine;tris(2-propan-2-yloxypyridine);3-propan-2-yloxypyridine;4-propan-2-yloxypyridine;2-propan-2-yloxypyrimidine (CID 157125867) is methane;2-propan-2-yloxypyrazine;tris(2-propan-2-yloxypyridine);3-propan-2-yloxypyridine;4-propan-2-yloxypyridine;2-propan-2-yloxypyrimidine.
What is the SMILES notation for methane;2-propan-2-yloxypyrazine;tris(2-propan-2-yloxypyridine);3-propan-2-yloxypyridine;4-propan-2-yloxypyridine;2-propan-2-yloxypyrimidine?
The canonical SMILES for methane;2-propan-2-yloxypyrazine;tris(2-propan-2-yloxypyridine);3-propan-2-yloxypyridine;4-propan-2-yloxypyridine;2-propan-2-yloxypyrimidine is C.C.C.C.CC(C)Oc1ccccn1.CC(C)Oc1ccccn1.CC(C)Oc1ccccn1.CC(C)Oc1cccnc1.CC(C)Oc1ccncc1.CC(C)Oc1cnccn1.CC(C)Oc1ncccn1.
What is the InChIKey of methane;2-propan-2-yloxypyrazine;tris(2-propan-2-yloxypyridine);3-propan-2-yloxypyridine;4-propan-2-yloxypyridine;2-propan-2-yloxypyrimidine?
The InChIKey is AIMPGVQZZVWSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/5C8H11NO.2C7H10N2O.4CH4/c1-7(2)10-8-3-5-9-6-4-8;1-7(2)10-8-4-3-5-9-6-8;3*1-7(2)10-8-5-3-4-6-9-8;1-6(2)10-7-5-8-3-4-9-7;1-6(2)10-7-8-4-3-5-9-7;;;;/h5*3-7H,1-2H3;2*3-6H,1-2H3;4*1H4.
What are the key properties of methane;2-propan-2-yloxypyrazine;tris(2-propan-2-yloxypyridine);3-propan-2-yloxypyridine;4-propan-2-yloxypyridine;2-propan-2-yloxypyrimidine?
methane;2-propan-2-yloxypyrazine;tris(2-propan-2-yloxypyridine);3-propan-2-yloxypyridine;4-propan-2-yloxypyridine;2-propan-2-yloxypyrimidine has a molecular weight of 1026.42 g/mol, XLogP of 14.42, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-propan-2-yloxypyrazine;tris(2-propan-2-yloxypyridine);3-propan-2-yloxypyridine;4-propan-2-yloxypyridine;2-propan-2-yloxypyrimidine is sourced from PubChem (CID 157125867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).