5-Benzyl-2,4-diaminopyrimidine structure
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Common Name | 5-Benzyl-2,4-diaminopyrimidine | ||
|---|---|---|---|---|
| CAS Number | 7319-45-1 | Molecular Weight | 200.24000 | |
| Density | 1.252g/cm3 | Boiling Point | 459.7ºC at 760 mmHg | |
| Molecular Formula | C11H12N4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 262.7ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-benzylpyrimidine-2,4-diamine |
|---|---|
| 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 | 1.252g/cm3 |
|---|---|
| Boiling Point | 459.7ºC at 760 mmHg |
| Molecular Formula | C11H12N4 |
| Molecular Weight | 200.24000 |
| Flash Point | 262.7ºC |
| Exact Mass | 200.10600 |
| PSA | 77.82000 |
| LogP | 2.39420 |
| Index of Refraction | 1.677 |
| InChIKey | XHPZVBGIPQQTQW-UHFFFAOYSA-N |
| SMILES | Nc1ncc(Cc2ccccc2)c(N)n1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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5-Benzyl-2,4-di... CAS#:7319-45-1 |
| Literature: Falco et al. Journal of the American Chemical Society, 1951 , vol. 73, p. 3758,3760 |
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5-Benzyl-2,4-di... CAS#:7319-45-1 |
| Literature: Otzen, Thomas; Wempe, Ellen G.; Kunz, Brigitte; Bartels, Rainer; Lehwark-Yvetot, Gudrun; Haensel, Wolfram; Schaper, Klaus-Juergen; Seydel, Joachim K. Journal of Medicinal Chemistry, 2004 , vol. 47, # 1 p. 240 - 253 |
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~%
5-Benzyl-2,4-di... CAS#:7319-45-1 |
| Literature: Otzen, Thomas; Wempe, Ellen G.; Kunz, Brigitte; Bartels, Rainer; Lehwark-Yvetot, Gudrun; Haensel, Wolfram; Schaper, Klaus-Juergen; Seydel, Joachim K. Journal of Medicinal Chemistry, 2004 , vol. 47, # 1 p. 240 - 253 |
|
~%
5-Benzyl-2,4-di... CAS#:7319-45-1 |
| Literature: Otzen, Thomas; Wempe, Ellen G.; Kunz, Brigitte; Bartels, Rainer; Lehwark-Yvetot, Gudrun; Haensel, Wolfram; Schaper, Klaus-Juergen; Seydel, Joachim K. Journal of Medicinal Chemistry, 2004 , vol. 47, # 1 p. 240 - 253 |
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5-Benzyl-2,4-di... CAS#:7319-45-1 |
| Literature: Goldberg Bulletin de la Societe Chimique de France, 1951 , p. 895,898 |
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~%
5-Benzyl-2,4-di... CAS#:7319-45-1 |
| Literature: Goldberg Bulletin de la Societe Chimique de France, 1951 , p. 895,898 |
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~%
5-Benzyl-2,4-di... CAS#:7319-45-1 |
| Literature: Goldberg Bulletin de la Societe Chimique de France, 1951 , p. 895,898 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 1 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of rat liver dihydrofolate reductase
Source: ChEMBL
Target: Dihydrofolate reductase
External Id: CHEMBL3280531
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Name: Binding affinity for dihydrofolate reductase from Lactobacillus casei
Source: ChEMBL
Target: Dihydrofolate reductase
External Id: CHEMBL667809
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Name: Inhibitory activity against murine tumor cells (L5178Y/R)
Source: ChEMBL
Target: L5178Y
External Id: CHEMBL707334
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Name: Inhibitory activity against dihydrofolate reductase (DHFR) from Lactobacillus casei (...
Source: ChEMBL
Target: Dihydrofolate reductase
External Id: CHEMBL858271
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Name: Partition coefficient (logD) (0.01 N NaOH)
Source: ChEMBL
Target: N/A
External Id: CHEMBL856959
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Name: Partition coefficient (logD) (aqueous phase 0.1 N HCl)
Source: ChEMBL
Target: N/A
External Id: CHEMBL635939
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Name: Inhibition of Dihydrofolate reductase from Lactobacillus casei
Source: ChEMBL
Target: Dihydrofolate reductase
External Id: CHEMBL858762
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Name: Partition coefficient (logD) (aqueous phase 0.1 N HCl)
Source: ChEMBL
Target: N/A
External Id: CHEMBL632480
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Name: Inhibitory activity against murine tumor cells (L5178Y/S)
Source: ChEMBL
Target: L5178Y
External Id: CHEMBL707337
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|
Name: Partition coefficient (logD) (0.1 N NAOH)
Source: ChEMBL
Target: N/A
External Id: CHEMBL633214
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2,4-diamino-5-benzyl pyrimidine |
| 5-Benzyl-2,4-diaminopyrimidine |
| 5-Benzyl-pyrimidin-2,4-diyldiamin |
| 5-Benzyl-pyrimidine-2,4-diamine |
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 5-benzylpyrimidine-2,4-diamine? |
| A: Molecular formula of 5-benzylpyrimidine-2,4-diamine is C11H12N4. |
| Q: What English synonyms does 5-benzylpyrimidine-2,4-diamine have? |
| A: English synonyms of 5-benzylpyrimidine-2,4-diamine: 2,4-diamino-5-benzyl pyrimidine, 5-Benzyl-2,4-diaminopyrimidine, 5-Benzyl-pyrimidin-2,4-diyldiamin, 5-Benzyl-pyrimidine-2,4-diamine. |
| Q: What is the LogP of 5-benzylpyrimidine-2,4-diamine? |
| A: LogP of 5-benzylpyrimidine-2,4-diamine is 2.39420. |
| Q: What is the English name of 5-benzylpyrimidine-2,4-diamine? |
| A: The English name of 5-benzylpyrimidine-2,4-diamine is 5-benzylpyrimidine-2,4-diamine. |
| Q: What is the SMILES notation of 5-benzylpyrimidine-2,4-diamine? |
| A: SMILES notation of 5-benzylpyrimidine-2,4-diamine is Nc1ncc(Cc2ccccc2)c(N)n1. |
| Q: What is the molecular weight of 5-benzylpyrimidine-2,4-diamine? |
| A: Molecular weight of 5-benzylpyrimidine-2,4-diamine is 200.24000. |
| Q: What are the downstream products of 5-benzylpyrimidine-2,4-diamine? |
| A: Related downstream products(CAS) of 5-benzylpyrimidine-2,4-diamine: 69945-52-4. |
| Q: What are the upstream materials of 5-benzylpyrimidine-2,4-diamine? |
| A: Related upstream materials(CAS) of 5-benzylpyrimidine-2,4-diamine: 873409-32-6;100-52-7;76651-70-2;50-01-1;121242-99-7;18493-83-9. |
| Q: What is the boiling point of 5-benzylpyrimidine-2,4-diamine? |
| A: Boiling point of 5-benzylpyrimidine-2,4-diamine is 459.7ºC at 760 mmHg. |
| Q: What is the InChIKey of 5-benzylpyrimidine-2,4-diamine? |
| A: InChIKey of 5-benzylpyrimidine-2,4-diamine is XHPZVBGIPQQTQW-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |