About 2-methoxy-5-[6-methyl-7-[[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-3-amine
2-methoxy-5-[6-methyl-7-[[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-3-amine (PubChem CID 144812418) has the molecular formula C27H37N7O2S
and a molecular weight of 523.71 g/mol. Its IUPAC name is 2-methoxy-5-[6-methyl-7-[[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-3-amine.
Molecular Properties
| Compound Name | 2-methoxy-5-[6-methyl-7-[[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-3-amine |
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| PubChem CID | 144812418 |
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| Molecular Formula | C27H37N7O2S |
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| Molecular Weight | 523.71 g/mol |
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| Exact Mass | 523.27 |
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| IUPAC Name | 2-methoxy-5-[6-methyl-7-[[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-3-amine |
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| SMILES | COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(N5CCCC5C)C4)c(C)sc23)cc1N |
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| InChI | InChI=1S/C27H37N7O2S/c1-17-5-4-7-34(17)20-6-8-32(15-20)16-21-18(2)37-25-23(19-13-22(28)26(35-3)29-14-19)30-27(31-24(21)25)33-9-11-36-12-10-33/h13-14,17,20H,4-12,15-16,28H2,1-3H3 |
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| InChIKey | LTVKZHPRRDUKKQ-UHFFFAOYSA-N |
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| XLogP | 3.55 |
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| TPSA | 92.87 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 523.71 |
| LogP ≤ 5 | 3.55 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 10 |
Analyze 2-methoxy-5-[6-methyl-7-[[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-3-amine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-methoxy-5-[6-methyl-7-[[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-3-amine?
The IUPAC name of 2-methoxy-5-[6-methyl-7-[[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-3-amine (CID 144812418) is 2-methoxy-5-[6-methyl-7-[[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-3-amine.
What is the SMILES notation for 2-methoxy-5-[6-methyl-7-[[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-3-amine?
The canonical SMILES for 2-methoxy-5-[6-methyl-7-[[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-3-amine is COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC(N5CCCC5C)C4)c(C)sc23)cc1N.
What is the InChIKey of 2-methoxy-5-[6-methyl-7-[[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-3-amine?
The InChIKey is LTVKZHPRRDUKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N7O2S/c1-17-5-4-7-34(17)20-6-8-32(15-20)16-21-18(2)37-25-23(19-13-22(28)26(35-3)29-14-19)30-27(31-24(21)25)33-9-11-36-12-10-33/h13-14,17,20H,4-12,15-16,28H2,1-3H3.
What are the key properties of 2-methoxy-5-[6-methyl-7-[[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-3-amine?
2-methoxy-5-[6-methyl-7-[[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-3-amine has a molecular weight of 523.71 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[6-methyl-7-[[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyridin-3-amine is sourced from PubChem (CID 144812418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).