5-[(4-amino-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine
![5-[(4-amino-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine Structure](https://image.chemsrc.com/caspic/287/85544-45-2.png)
5-[(4-amino-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine structure
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Common Name | 5-[(4-amino-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine | ||
|---|---|---|---|---|
| CAS Number | 85544-45-2 | Molecular Weight | 245.28000 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C12H15N5O | 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 | 5-[(4-amino-3-methoxyphenyl)methyl]pyrimidine-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.
| Molecular Formula | C12H15N5O |
|---|---|
| Molecular Weight | 245.28000 |
| Exact Mass | 245.12800 |
| PSA | 114.53000 |
| LogP | 1.26400 |
| InChIKey | IHJKHUNNCONUDJ-UHFFFAOYSA-N |
| SMILES | COc1cc(Cc2cnc(N)nc2N)ccc1N |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~23%
5-[(4-amino-3-m... CAS#:85544-45-2 |
| Literature: Roth; Rauckman; Ferone; Baccanari; Champness; Hyde Journal of Medicinal Chemistry, 1987 , vol. 30, # 2 p. 348 - 356 |
|
~%
5-[(4-amino-3-m... CAS#:85544-45-2 |
| Literature: Calas; Barbier; Giral; et al. European Journal of Medicinal Chemistry, 1982 , vol. 17, # 6 p. 497 - 504 |
|
~%
5-[(4-amino-3-m... CAS#:85544-45-2 |
| Literature: Calas; Barbier; Giral; et al. European Journal of Medicinal Chemistry, 1982 , vol. 17, # 6 p. 497 - 504 |
|
~%
5-[(4-amino-3-m... CAS#:85544-45-2 |
| Literature: Calas; Barbier; Giral; et al. European Journal of Medicinal Chemistry, 1982 , vol. 17, # 6 p. 497 - 504 |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli
Source: ChEMBL
Target: Dihydrofolate reductase
External Id: CHEMBL668117
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Name: Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver
Source: ChEMBL
Target: Dihydrofolate reductase
External Id: CHEMBL667862
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2,4-diamino-5-(4-amino-3-methoxybenzyl)pyrimidine |
| 2,4-Pyrimidinediamine,5-[(4-amino-3-methoxyphenyl)methyl] |
| 2,4-diamino-5-(3-methoxy-4-aminobenzyl)pyrimidine |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 5-[(4-amino-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine? |
| A: SMILES notation of 5-[(4-amino-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine is COc1cc(Cc2cnc(N)nc2N)ccc1N. |
| Q: What is the English name of 5-[(4-amino-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine? |
| A: The English name of 5-[(4-amino-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine is 5-[(4-amino-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine. |
| Q: What is the LogP of 5-[(4-amino-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine? |
| A: LogP of 5-[(4-amino-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine is 1.26400. |
| Q: What is the polar surface area (PSA) of 5-[(4-amino-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine? |
| A: Polar surface area (PSA) of 5-[(4-amino-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine is 114.53000. |
| Q: What is the molecular formula of 5-[(4-amino-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine? |
| A: Molecular formula of 5-[(4-amino-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine is C12H15N5O. |
| Q: What English synonyms does 5-[(4-amino-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine have? |
| A: English synonyms of 5-[(4-amino-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine: 2,4-diamino-5-(4-amino-3-methoxybenzyl)pyrimidine, 2,4-Pyrimidinediamine,5-[(4-amino-3-methoxyphenyl)methyl], 2,4-diamino-5-(3-methoxy-4-aminobenzyl)pyrimidine. |
| Q: What is the CAS number of 5-[(4-amino-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine? |
| A: CAS number of 5-[(4-amino-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine is 85544-45-2. |
| Q: What is the InChIKey of 5-[(4-amino-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine? |
| A: InChIKey of 5-[(4-amino-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine is IHJKHUNNCONUDJ-UHFFFAOYSA-N. |
| Q: What is the Chinese name of 85544-45-2? |
| A: Chinese name of 85544-45-2 is 85544-45-2. |
| Q: What is the molecular weight of 5-[(4-amino-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine? |
| A: Molecular weight of 5-[(4-amino-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine is 245.28000. |