4-((4-HYDROXY-6-OXO-1,6-DIHYDROPYRIMIDIN-2-YL)AMINO)BENZONITRILE
4-((4-HYDROXY-6-OXO-1,6-DIHYDROPYRIMIDIN-2-YL)AMINO)BENZONITRILE structure
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Common Name | 4-((4-HYDROXY-6-OXO-1,6-DIHYDROPYRIMIDIN-2-YL)AMINO)BENZONITRILE | ||
|---|---|---|---|---|
| CAS Number | 374067-80-8 | Molecular Weight | 228.20700 | |
| Density | 1.44 g/cm3 | Boiling Point | N/A | |
| Molecular Formula | C11H8N4O2 | 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 | 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.44 g/cm3 |
|---|---|
| Molecular Formula | C11H8N4O2 |
| Molecular Weight | 228.20700 |
| Exact Mass | 228.06500 |
| PSA | 102.06000 |
| LogP | 1.57608 |
| Index of Refraction | 1.696 |
| InChIKey | HJFLUKUOXWTIBQ-UHFFFAOYSA-N |
| SMILES | N#Cc1ccc(Nc2nc(O)cc(=O)[nH]2)cc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933599090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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4-((4-HYDROXY-6... CAS#:374067-80-8 |
| Literature: HETERO RESEARCH FOUNDATION; Parthasaradhi Reddy, Bandi; Rathnakar Reddy, Kura; Muralidhara Reddy, Dasari; Raji Reddy, Rapolu; Vamsi Krishna, Bandi; Venkat Narsimha Reddy, Adulla Patent: US2013/96148 A1, 2013 ; Location in patent: Paragraph 0087 ; |
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4-((4-HYDROXY-6... CAS#:374067-80-8 |
| Literature: HETERO RESEARCH FOUNDATION; Parthasaradhi Reddy, Bandi; Rathnakar Reddy, Kura; Muralidhara Reddy, Dasari; Raji Reddy, Rapolu; Vamsi Krishna, Bandi; Venkat Narsimha Reddy, Adulla Patent: US2013/96148 A1, 2013 ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 4 | |
![4-[(4,6-Dichloropyrimidin-2-yl)amino]benzonitrile structure](https://image.chemsrc.com/caspic/239/329187-59-9.png)
CAS#:329187-59-9![4-[[5-BROMO-6-CHLORO-2-[(4-CYANOPHENYL)AMINO]-4-PYRIMIDINYL] OXY]-3,5-DIMETHYL-BENZONITRILE structure](https://image.chemsrc.com/caspic/391/269055-76-7.png)
CAS#:269055-76-7
CAS#:269055-15-4![4-[(5-Bromo-4,6-dichloro-2-pyrimidinyl)amino]benzonitrile structure](https://image.chemsrc.com/caspic/429/269055-75-6.png)
CAS#:269055-75-6This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933599090 |
|---|---|
| Summary | 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Antimalarial activity against Plasmodium falciparum W2mef at 10 uM after 48 hrs by ho...
Source: ChEMBL
Target: Plasmodium falciparum
External Id: CHEMBL1041091
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| qc-46 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile? |
| A: Related upstream materials(CAS) of 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile: 5637-42-3;105-53-3;873-74-5. |
| Q: What is the polar surface area (PSA) of 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile? |
| A: Polar surface area (PSA) of 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile is 102.06000. |
| Q: What English synonyms does 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile have? |
| A: English synonyms of 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile: qc-46. |
| Q: What is the molecular formula of 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile? |
| A: Molecular formula of 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile is C11H8N4O2. |
| Q: What is the LogP of 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile? |
| A: LogP of 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile is 1.57608. |
| Q: What is the English name of 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile? |
| A: The English name of 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile is 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile. |
| Q: What is the InChIKey of 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile? |
| A: InChIKey of 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile is HJFLUKUOXWTIBQ-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile? |
| A: SMILES notation of 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile is N#Cc1ccc(Nc2nc(O)cc(=O)[nH]2)cc1. |
| Q: What is the molecular weight of 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile? |
| A: Molecular weight of 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile is 228.20700. |
| Q: What is the CAS number of 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile? |
| A: CAS number of 4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile is 374067-80-8. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |