About [4-[2-[2-(6-amino-3-pyridinyl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
[4-[2-[2-(6-amino-3-pyridinyl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 25109319) has the molecular formula C27H29N7O2S
and a molecular weight of 515.64 g/mol. Its IUPAC name is [4-[2-[2-(6-amino-3-pyridinyl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.
Molecular Properties
| Compound Name | [4-[2-[2-(6-amino-3-pyridinyl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone |
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| PubChem CID | 25109319 |
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| Molecular Formula | C27H29N7O2S |
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| Molecular Weight | 515.64 g/mol |
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| Exact Mass | 515.21 |
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| IUPAC Name | [4-[2-[2-(6-amino-3-pyridinyl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone |
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| SMILES | CN1CCN(C(=O)c2ccc(-c3cc4nc(N5CCOC(c6ccc(N)nc6)C5)ncc4s3)cc2)CC1 |
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| InChI | InChI=1S/C27H29N7O2S/c1-32-8-10-33(11-9-32)26(35)19-4-2-18(3-5-19)23-14-21-24(37-23)16-30-27(31-21)34-12-13-36-22(17-34)20-6-7-25(28)29-15-20/h2-7,14-16,22H,8-13,17H2,1H3,(H2,28,29) |
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| InChIKey | LCBREJWLXJHJEQ-UHFFFAOYSA-N |
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| XLogP | 3.30 |
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| TPSA | 100.71 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 4 |
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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 | 515.64 |
| LogP ≤ 5 | 3.30 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |
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Frequently Asked Questions
What is the IUPAC name of [4-[2-[2-(6-amino-3-pyridinyl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-[2-[2-(6-amino-3-pyridinyl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (CID 25109319) is [4-[2-[2-(6-amino-3-pyridinyl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[2-[2-(6-amino-3-pyridinyl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[2-[2-(6-amino-3-pyridinyl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(-c3cc4nc(N5CCOC(c6ccc(N)nc6)C5)ncc4s3)cc2)CC1.
What is the InChIKey of [4-[2-[2-(6-amino-3-pyridinyl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is LCBREJWLXJHJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2S/c1-32-8-10-33(11-9-32)26(35)19-4-2-18(3-5-19)23-14-21-24(37-23)16-30-27(31-21)34-12-13-36-22(17-34)20-6-7-25(28)29-15-20/h2-7,14-16,22H,8-13,17H2,1H3,(H2,28,29).
What are the key properties of [4-[2-[2-(6-amino-3-pyridinyl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
[4-[2-[2-(6-amino-3-pyridinyl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 515.64 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[2-(6-amino-3-pyridinyl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 25109319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).