About 8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 159224014) has the molecular formula C27H37N5O3
and a molecular weight of 479.63 g/mol. Its IUPAC name is 8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
Molecular Properties
| Compound Name | 8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one |
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| PubChem CID | 159224014 |
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| Molecular Formula | C27H37N5O3 |
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| Molecular Weight | 479.63 g/mol |
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| Exact Mass | 479.29 |
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| IUPAC Name | 8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one |
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| SMILES | COCCCN1C(=O)N(CC(=O)Cc2ccncn2)CC12CCC(c1ccccc1)(N(C)C)CC2 |
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| InChI | InChI=1S/C27H37N5O3/c1-30(2)27(22-8-5-4-6-9-22)13-11-26(12-14-27)20-31(25(34)32(26)16-7-17-35-3)19-24(33)18-23-10-15-28-21-29-23/h4-6,8-10,15,21H,7,11-14,16-20H2,1-3H3 |
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| InChIKey | UCWYFNLCJYQOTE-UHFFFAOYSA-N |
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| XLogP | 3.13 |
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| TPSA | 78.87 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 35 |
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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 | 479.63 |
| LogP ≤ 5 | 3.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 159224014) is 8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is COCCCN1C(=O)N(CC(=O)Cc2ccncn2)CC12CCC(c1ccccc1)(N(C)C)CC2.
What is the InChIKey of 8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is UCWYFNLCJYQOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O3/c1-30(2)27(22-8-5-4-6-9-22)13-11-26(12-14-27)20-31(25(34)32(26)16-7-17-35-3)19-24(33)18-23-10-15-28-21-29-23/h4-6,8-10,15,21H,7,11-14,16-20H2,1-3H3.
What are the key properties of 8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 479.63 g/mol, XLogP of 3.13, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-1-(3-methoxypropyl)-3-(2-oxo-3-pyrimidin-4-ylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 159224014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).