About (E)-3-imino-2-[3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholin-2-yl]prop-1-en-1-amine
(E)-3-imino-2-[3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholin-2-yl]prop-1-en-1-amine (PubChem CID 139358302) has the molecular formula C19H19F3N8O
and a molecular weight of 432.41 g/mol. Its IUPAC name is (E)-3-imino-2-[3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholin-2-yl]prop-1-en-1-amine.
Molecular Properties
| Compound Name | (E)-3-imino-2-[3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholin-2-yl]prop-1-en-1-amine |
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| PubChem CID | 139358302 |
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| Molecular Formula | C19H19F3N8O |
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| Molecular Weight | 432.41 g/mol |
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| Exact Mass | 432.16 |
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| IUPAC Name | (E)-3-imino-2-[3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholin-2-yl]prop-1-en-1-amine |
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| SMILES | [H]/N=C/C(=C\N)C1OCCN(c2nccc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1C |
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| InChI | InChI=1S/C19H19F3N8O/c1-11-17(12(6-23)7-24)31-5-4-29(11)18-25-3-2-13(28-18)14-8-27-16-9-26-15(10-30(14)16)19(20,21)22/h2-3,6-11,17,23H,4-5,24H2,1H3/b12-7+,23-6+ |
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| InChIKey | XZSCYDUNIHWDNC-NWYNHJGCSA-N |
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| XLogP | 2.29 |
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| TPSA | 118.31 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 31 |
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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 | 432.41 |
| LogP ≤ 5 | 2.29 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Analyze (E)-3-imino-2-[3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholin-2-yl]prop-1-en-1-amine with MolForge
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Frequently Asked Questions
What is the IUPAC name of (E)-3-imino-2-[3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholin-2-yl]prop-1-en-1-amine?
The IUPAC name of (E)-3-imino-2-[3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholin-2-yl]prop-1-en-1-amine (CID 139358302) is (E)-3-imino-2-[3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholin-2-yl]prop-1-en-1-amine.
What is the SMILES notation for (E)-3-imino-2-[3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholin-2-yl]prop-1-en-1-amine?
The canonical SMILES for (E)-3-imino-2-[3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholin-2-yl]prop-1-en-1-amine is [H]/N=C/C(=C\N)C1OCCN(c2nccc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1C.
What is the InChIKey of (E)-3-imino-2-[3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholin-2-yl]prop-1-en-1-amine?
The InChIKey is XZSCYDUNIHWDNC-NWYNHJGCSA-N. The full InChI is InChI=1S/C19H19F3N8O/c1-11-17(12(6-23)7-24)31-5-4-29(11)18-25-3-2-13(28-18)14-8-27-16-9-26-15(10-30(14)16)19(20,21)22/h2-3,6-11,17,23H,4-5,24H2,1H3/b12-7+,23-6+.
What are the key properties of (E)-3-imino-2-[3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholin-2-yl]prop-1-en-1-amine?
(E)-3-imino-2-[3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholin-2-yl]prop-1-en-1-amine has a molecular weight of 432.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-imino-2-[3-methyl-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholin-2-yl]prop-1-en-1-amine is sourced from PubChem (CID 139358302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).