Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 6992-84-3 | MDL No. : | MFCD03427655 |
Formula : | C6H9N3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | BPOAAORKNIRNMF-UHFFFAOYSA-N |
M.W : | 123.16 | Pubchem ID : | 2734421 |
Synonyms : |
|
Num. heavy atoms : | 9 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.17 |
Num. rotatable bonds : | 0 |
Num. H-bond acceptors : | 1.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 38.01 |
TPSA : | 64.93 Ų |
GI absorption : | High |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.9 cm/s |
Log Po/w (iLOGP) : | 0.89 |
Log Po/w (XLOGP3) : | 0.22 |
Log Po/w (WLOGP) : | 0.57 |
Log Po/w (MLOGP) : | -0.07 |
Log Po/w (SILICOS-IT) : | 0.39 |
Consensus Log Po/w : | 0.4 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.24 |
Solubility : | 7.16 mg/ml ; 0.0581 mol/l |
Class : | Very soluble |
Log S (Ali) : | -1.14 |
Solubility : | 8.86 mg/ml ; 0.0719 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -1.65 |
Solubility : | 2.76 mg/ml ; 0.0224 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.41 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501 | UN#: | N/A |
Hazard Statements: | H302-H312-H332 | Packing Group: | N/A |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sodium amide; paraffin at 200 - 300℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With benzenediazonium |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With C7H7N2O(1+) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
palladium; In ethanol; | Step 1 2,5-Diamino-6-methylpyridine A mixture of 2-amino-5-nitro-6-methylpyridine (5.42 g, 0.0354 mol) (E. D. Parker and W. Shive, J. Amer. Chem. Soc., 69:63 (1947)), absolute EtOH (150 ml) and 10% palladium-on-carbon catalyst (0.488 g) was hydrogenated at an initial pressure of 40 p.s.i. for 18 hours. The catalyst was removed by filtration through celite and the filtrate was concentrated to give 4.34 g of the titled product. | |
With hydrogen;palladium 10% on activated carbon; In tetrahydrofuran; methanol; under 2585.81 Torr; | 6-Methyl-5-nitropyridin-2-amine [CAS 22280-62-2] (0.38 g, 2.48 mmol) was hydrogenated at 50 psi with 10% Pd/C (0.35 g) in MeOH/THF (10 mL) overnight to give 6-methylpyridine-2,5-diamine as a light yellow solid. |
A1507530[ N/A ]
6-Methylpyridine-2,5-diamine hydrochloride
Reason: Free-salt
[ 1956367-26-2 ]
6-Methylpyridine-2,3-diamine hydrochloride
Similarity: 0.89
[ 77712-94-8 ]
6-Methylpyridine-2,3-diamine dihydrochloride
Similarity: 0.89
[ 50850-16-3 ]
4,6-Dimethylpyridine-2,3-diamine
Similarity: 0.84
[ 1956367-26-2 ]
6-Methylpyridine-2,3-diamine hydrochloride
Similarity: 0.89
[ 77712-94-8 ]
6-Methylpyridine-2,3-diamine dihydrochloride
Similarity: 0.89
[ 50850-16-3 ]
4,6-Dimethylpyridine-2,3-diamine
Similarity: 0.84