About 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine
4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine (PubChem CID 59137540) has the molecular formula C24H23F3N6O2
and a molecular weight of 484.48 g/mol. Its IUPAC name is 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine.
Molecular Properties
| Compound Name | 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine |
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| PubChem CID | 59137540 |
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| Molecular Formula | C24H23F3N6O2 |
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| Molecular Weight | 484.48 g/mol |
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| Exact Mass | 484.18 |
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| IUPAC Name | 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine |
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| SMILES | COc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)oc2-c2ccnc(NCC(C)C)n2)cnc1N |
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| InChI | InChI=1S/C24H23F3N6O2/c1-13(2)11-31-23-29-9-8-17(32-23)20-19(15-10-18(34-3)21(28)30-12-15)33-22(35-20)14-4-6-16(7-5-14)24(25,26)27/h4-10,12-13H,11H2,1-3H3,(H2,28,30)(H,29,31,32) |
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| InChIKey | FEPOIBAGHZKIIL-UHFFFAOYSA-N |
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| XLogP | 5.54 |
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| TPSA | 111.98 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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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 | 484.48 |
| LogP ≤ 5 | 5.54 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine (CID 59137540) is 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine is COc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)oc2-c2ccnc(NCC(C)C)n2)cnc1N.
What is the InChIKey of 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine?
The InChIKey is FEPOIBAGHZKIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O2/c1-13(2)11-31-23-29-9-8-17(32-23)20-19(15-10-18(34-3)21(28)30-12-15)33-22(35-20)14-4-6-16(7-5-14)24(25,26)27/h4-10,12-13H,11H2,1-3H3,(H2,28,30)(H,29,31,32).
What are the key properties of 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine?
4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine has a molecular weight of 484.48 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-N-(2-methylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 59137540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).