6-(3-propylanilino)-1H-pyrimidine-2,4-dione
6-(3-propylanilino)-1H-pyrimidine-2,4-dione structure
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Common Name | 6-(3-propylanilino)-1H-pyrimidine-2,4-dione | ||
|---|---|---|---|---|
| CAS Number | 87986-18-3 | Molecular Weight | 245.27700 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C13H15N3O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 6-(3-propylanilino)-1H-pyrimidine-2,4-dione |
|---|
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C13H15N3O2 |
|---|---|
| Molecular Weight | 245.27700 |
| Exact Mass | 245.11600 |
| PSA | 78.27000 |
| LogP | 2.65690 |
| InChIKey | NXUZJMJSGGDUHI-UHFFFAOYSA-N |
| SMILES | CCCc1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~43%
6-(3-propylanil... CAS#:87986-18-3 |
| Literature: Wright, George E.; Gambino, Joseph J. Journal of Medicinal Chemistry, 1984 , vol. 27, # 2 p. 181 - 185 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition constant against Bacillus subtilis DNA topoisomerase III (wild type).
Source: ChEMBL
Target: DNA topoisomerase 3
External Id: CHEMBL663871
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Name: Inhibition constant against Bacillus subtilis azp-12 DNA topoisomerase III (mutant en...
Source: ChEMBL
Target: DNA topoisomerase 3
External Id: CHEMBL858266
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This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 6-(3-propylanilino)-1H-pyrimidine-2,4-dione? |
| A: Molecular formula of 6-(3-propylanilino)-1H-pyrimidine-2,4-dione is C13H15N3O2. |
| Q: What is the InChIKey of 6-(3-propylanilino)-1H-pyrimidine-2,4-dione? |
| A: InChIKey of 6-(3-propylanilino)-1H-pyrimidine-2,4-dione is NXUZJMJSGGDUHI-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 6-(3-propylanilino)-1H-pyrimidine-2,4-dione? |
| A: Molecular weight of 6-(3-propylanilino)-1H-pyrimidine-2,4-dione is 245.27700. |
| Q: What is the Chinese name of 87986-18-3? |
| A: Chinese name of 87986-18-3 is 87986-18-3. |
| Q: What is the LogP of 6-(3-propylanilino)-1H-pyrimidine-2,4-dione? |
| A: LogP of 6-(3-propylanilino)-1H-pyrimidine-2,4-dione is 2.65690. |
| Q: What is the CAS number of 6-(3-propylanilino)-1H-pyrimidine-2,4-dione? |
| A: CAS number of 6-(3-propylanilino)-1H-pyrimidine-2,4-dione is 87986-18-3. |
| Q: What are the upstream materials of 6-(3-propylanilino)-1H-pyrimidine-2,4-dione? |
| A: Related upstream materials(CAS) of 6-(3-propylanilino)-1H-pyrimidine-2,4-dione: 4270-27-3;2524-81-4. |
| Q: What is the polar surface area (PSA) of 6-(3-propylanilino)-1H-pyrimidine-2,4-dione? |
| A: Polar surface area (PSA) of 6-(3-propylanilino)-1H-pyrimidine-2,4-dione is 78.27000. |
| Q: What is the English name of 6-(3-propylanilino)-1H-pyrimidine-2,4-dione? |
| A: The English name of 6-(3-propylanilino)-1H-pyrimidine-2,4-dione is 6-(3-propylanilino)-1H-pyrimidine-2,4-dione. |
| Q: What is the SMILES notation of 6-(3-propylanilino)-1H-pyrimidine-2,4-dione? |
| A: SMILES notation of 6-(3-propylanilino)-1H-pyrimidine-2,4-dione is CCCc1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1. |