5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine
![5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine Structure](https://image.chemsrc.com/caspic/135/49873-11-2.png)
5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine structure
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Common Name | 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine | ||
|---|---|---|---|---|
| CAS Number | 49873-11-2 | Molecular Weight | 306.36200 | |
| Density | 1.252g/cm3 | Boiling Point | 575.1ºC at 760 mmHg | |
| Molecular Formula | C18H18N4O | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 301.6ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine |
|---|---|
| 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 | 575.1ºC at 760 mmHg |
| Molecular Formula | C18H18N4O |
| Molecular Weight | 306.36200 |
| Flash Point | 301.6ºC |
| Exact Mass | 306.14800 |
| PSA | 87.05000 |
| LogP | 3.97320 |
| Index of Refraction | 1.67 |
| InChIKey | NTVMHTFWSNGDLC-UHFFFAOYSA-N |
| SMILES | Nc1ncc(Cc2ccc(OCc3ccccc3)cc2)c(N)n1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
![4-[(2,4-diaminopyrimidin-5-yl)methyl]phenol structure](https://image.chemsrc.com/caspic/163/30077-67-9.png)
![(E)-2-(ethoxymethyl)-3-[4-(tetrahydro-2-pyranyloxy)phenyl]-2-propenenitrile structure](https://image.chemsrc.com/caspic/331/650606-19-2.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 1 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: In vitro antimalarial activity against Plasmodium falciparum K1CB1 double DHFR mutati...
Source: ChEMBL
Target: Bifunctional dihydrofolate reductase-thymidylate synthase
External Id: CHEMBL769664
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Name: In vitro antimalarial activity against Plasmodium falciparum TM4/8.2 wtDHFR
Source: ChEMBL
Target: Bifunctional dihydrofolate reductase-thymidylate synthase
External Id: CHEMBL769665
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Name: In vitro antimalarial activity against Plasmodium falciparum K1CB1 double DHFR mutant...
Source: ChEMBL
Target: Bifunctional dihydrofolate reductase-thymidylate synthase
External Id: CHEMBL769492
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Name: In vitro antimalarial activity relative to trimethoprim against Plasmodium falciparum...
Source: ChEMBL
Target: Bifunctional dihydrofolate reductase-thymidylate synthase
External Id: CHEMBL769668
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Name: Inhibitory activity against double mutant dihydrofolate reductase (C59R S108N DHFR), ...
Source: ChEMBL
Target: Bifunctional dihydrofolate reductase-thymidylate synthase
External Id: CHEMBL667617
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Name: Activity against dihydrofolate reductase of Escherichia coli strain MB 1428
Source: ChEMBL
Target: Dihydrofolate reductase
External Id: CHEMBL667704
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Name: Inhibitory activity against quadruple mutant dihydrofolate reductase (N51I C59R S108N...
Source: ChEMBL
Target: Bifunctional dihydrofolate reductase-thymidylate synthase
External Id: CHEMBL667618
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|
Name: In vitro antimalarial activity relative to trimethoprim against Plasmodium falciparum...
Source: ChEMBL
Target: Bifunctional dihydrofolate reductase-thymidylate synthase
External Id: CHEMBL769666
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Name: Inhibitory activity against triple mutant dihydrofolate reductase (C59R S108N I164L D...
Source: ChEMBL
Target: Bifunctional dihydrofolate reductase-thymidylate synthase
External Id: CHEMBL667619
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Name: In vitro antimalarial activity against Plasmodium falciparum Vl/S with quadruple DHFR...
Source: ChEMBL
Target: Bifunctional dihydrofolate reductase-thymidylate synthase
External Id: CHEMBL769667
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5-(4-benzoyl-piperazin-1-yl)-pentanoic acid ethyl ester |
| 5-(4-benzyloxy-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-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine? |
| A: Molecular formula of 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine is C18H18N4O. |
| Q: What is the polar surface area (PSA) of 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine? |
| A: Polar surface area (PSA) of 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine is 87.05000. |
| Q: What are the downstream products of 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine? |
| A: Related downstream products(CAS) of 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine: 30077-67-9. |
| Q: What is the InChIKey of 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine? |
| A: InChIKey of 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine is NTVMHTFWSNGDLC-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine? |
| A: Molecular weight of 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine is 306.36200. |
| Q: What is the boiling point of 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine? |
| A: Boiling point of 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine is 575.1ºC at 760 mmHg. |
| Q: What English synonyms does 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine have? |
| A: English synonyms of 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine: 5-(4-benzoyl-piperazin-1-yl)-pentanoic acid ethyl ester, 5-(4-benzyloxy-benzyl)-pyrimidine-2,4-diamine. |
| Q: What is the English name of 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine? |
| A: The English name of 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine is 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine. |
| Q: What is the SMILES notation of 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine? |
| A: SMILES notation of 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine is Nc1ncc(Cc2ccc(OCc3ccccc3)cc2)c(N)n1. |
| Q: What is the LogP of 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine? |
| A: LogP of 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine is 3.97320. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |