Home Cart 0 Sign in  
X

[ CAS No. 6992-84-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 6992-84-3
Chemical Structure| 6992-84-3
Chemical Structure| 6992-84-3
Structure of 6992-84-3 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 6992-84-3 ]

Related Doc. of [ 6992-84-3 ]

Alternatived Products of [ 6992-84-3 ]

Product Details of [ 6992-84-3 ]

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 :

Calculated chemistry of [ 6992-84-3 ]

Physicochemical Properties

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

Pharmacokinetics

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

Lipophilicity

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

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

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

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.41

Safety of [ 6992-84-3 ]

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:

Application In Synthesis of [ 6992-84-3 ]

* 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.

  • Downstream synthetic route of [ 6992-84-3 ]

[ 6992-84-3 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 109-06-8 ]
  • [ 6992-84-3 ]
YieldReaction ConditionsOperation in experiment
With sodium amide; paraffin at 200 - 300℃;
  • 2
  • [ 6992-84-3 ]
  • 6-methyl-3-phenylazo-pyridine-2,5-diyldiamine [ No CAS ]
YieldReaction ConditionsOperation in experiment
With benzenediazonium
  • 3
  • [ 6992-84-3 ]
  • 5-(2,5-diamino-6-methyl-[3]pyridylazo)-2-methyl-phenol [ No CAS ]
YieldReaction ConditionsOperation in experiment
With C7H7N2O(1+)
  • 6
  • [ 22280-62-2 ]
  • [ 6992-84-3 ]
YieldReaction ConditionsOperation 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.
Same Skeleton Products
Historical Records

Similar Product of
[ 6992-84-3 ]

Chemical Structure| N/A

A1507530[ N/A ]

6-Methylpyridine-2,5-diamine hydrochloride

Reason: Free-salt

Related Functional Groups of
[ 6992-84-3 ]

Amines

Chemical Structure| 33259-72-2

[ 33259-72-2 ]

6-Methylpyridine-2,3-diamine

Similarity: 0.91

Chemical Structure| 1956367-26-2

[ 1956367-26-2 ]

6-Methylpyridine-2,3-diamine hydrochloride

Similarity: 0.89

Chemical Structure| 77712-94-8

[ 77712-94-8 ]

6-Methylpyridine-2,3-diamine dihydrochloride

Similarity: 0.89

Chemical Structure| 50850-16-3

[ 50850-16-3 ]

4,6-Dimethylpyridine-2,3-diamine

Similarity: 0.84

Chemical Structure| 3430-10-2

[ 3430-10-2 ]

2-Methylpyridin-3-amine

Similarity: 0.84

Related Parent Nucleus of
[ 6992-84-3 ]

Pyridines

Chemical Structure| 33259-72-2

[ 33259-72-2 ]

6-Methylpyridine-2,3-diamine

Similarity: 0.91

Chemical Structure| 1956367-26-2

[ 1956367-26-2 ]

6-Methylpyridine-2,3-diamine hydrochloride

Similarity: 0.89

Chemical Structure| 77712-94-8

[ 77712-94-8 ]

6-Methylpyridine-2,3-diamine dihydrochloride

Similarity: 0.89

Chemical Structure| 50850-16-3

[ 50850-16-3 ]

4,6-Dimethylpyridine-2,3-diamine

Similarity: 0.84

Chemical Structure| 3430-10-2

[ 3430-10-2 ]

2-Methylpyridin-3-amine

Similarity: 0.84