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| CAS No.: | 152460-10-1 |
|---|---|
| Name: | N-(5-Amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidineamine |
| Molecular Structure: | |
|
|
|
| Formula: | C16H15N5 |
| Molecular Weight: | 277.329 |
| Synonyms: | 4-Methyl-3-[4-(3-pyridyl)pyrimidin-2-ylamino]aniline;4-Methyl-N'-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine; |
| EINECS: | 1806241-263-5 |
| Density: | 1.266 g/cm3 |
| Melting Point: | 133-135 °C |
| Boiling Point: | 537.325 °C at 760 mmHg |
| Flash Point: | 278.765 °C |
| Appearance: | yellow solid |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | R36/37/38; R22 |
| PSA: | 76.72000 |
| LogP: | 3.82700 |
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- 211914-50-0N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride
- 152460-09-8
N-(5-nitro-2-methylphenyl)-4-(3-pyridinyl)-2-pyrimidineamine
- 152460-10-1
6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In ethyl acetate for 3h; | 100% |
| With palladium on activated charcoal; hydrogen In ethyl acetate at 20℃; for 3h; Inert atmosphere; | 100% |
| With hydrazine hydrate In N,N-dimethyl-formamide at 100℃; for 3h; Green chemistry; | 100% |
- 152459-95-5
imatinib
- 152460-10-1
6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine
| Conditions | Yield |
|---|---|
| With hydrogenchloride; acetic acid at 20℃; Reflux; | 97% |
- 152460-10-1
6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine
| Conditions | Yield |
|---|---|
| With trifluoroacetic acid In dichloromethane for 8h; | 95% |
- 55314-16-4, 75415-01-9, 123367-26-0
(E)-3-(dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one
- 581076-64-4
(2-methyl-5-aminophenyl)guanidine
- 152460-10-1
6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine
| Conditions | Yield |
|---|---|
| In butan-1-ol at 70℃; | 92% |
- 7745-93-9
2-bromo-4-nitrotoluene
- 66521-66-2
4-pyridin-3-ylpyrimidin-2-ylamine
- 152460-10-1
6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine
| Conditions | Yield |
|---|---|
| Stage #1: 2-bromo-4-nitrotoluene; 4-pyridin-3-ylpyrimidin-2-ylamine With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In 1,4-dioxane at 100℃; for 24h; Buchwald-Hartwig Coupling; Inert atmosphere; Stage #2: With potassium tert-butylate; bis(pinacol)diborane In 1,4-dioxane; isopropyl alcohol at 110℃; for 4h; Inert atmosphere; chemoselective reaction; | 83% |
- 7803-57-8
hydrazine hydrate
- 152460-09-8
N-(5-nitro-2-methylphenyl)-4-(3-pyridinyl)-2-pyrimidineamine
- 152460-10-1
6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine
| Conditions | Yield |
|---|---|
| With iron(III) chloride; pyrographite In water at 80℃; for 6 - 8h; | 80% |
- 152460-10-1
6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine
| Conditions | Yield |
|---|---|
| With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane; water at 20℃; for 1.5h; | 75% |
- 641569-94-0
4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoic acid
- 152460-10-1
6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine
| Conditions | Yield |
|---|---|
| Stage #1: 4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzoic acid With diphenyl phosphoryl azide; triethylamine In toluene at 100℃; for 12h; Curtius Rearrangement; Stage #2: With hydrogenchloride In water; toluene at 100℃; | 60% |
| Multi-step reaction with 2 steps 1: diphenyl phosphoryl azide; triethylamine / toluene / 12 h / 100 °C 2: trifluoroacetic acid / dichloromethane / 8 h View Scheme |
- 152460-09-8
N-(5-nitro-2-methylphenyl)-4-(3-pyridinyl)-2-pyrimidineamine
- 152460-10-1
6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine
| Conditions | Yield |
|---|---|
| In hydrogenchloride | 46% |
- 350-03-8
methyl-3-pyridylketone
- 152460-10-1
6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: ethanol / Heating 2: NaOH / propan-2-ol / 24 h / Heating 3: 8.9 g / SnCl2; aq. HCl / 0.5 h View Scheme | |
| Multi-step reaction with 2 steps 1: 92 percent / xylene / 140 °C 2: 92 percent / butan-1-ol / 70 °C View Scheme | |
| Multi-step reaction with 3 steps 2: 41.3 percent / sodium hydroxide / propan-2-ol / 8 h / Heating 3: 60.9 percent / H2 / palladium on charcoal / tetrahydrofuran / 21 h / 750.06 Torr / Ambient temperature View Scheme |
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Specification
The N-(5-Amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidineamine, with the CAS registry number 152460-10-1,is also known as Oleylamine, ethoxylated. It belongs to the product categories of Aromatics Compounds;Aromatics;Bases & Related Reagents;Inhibitors;Nucleotides. This chemical's molecular formula is C16H15N5 and molecular weight is 277.3237. What's more,Its systematic name is N-(5-Amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidineamine. It is a yellow solid which is a selective inhibitor of protein kinase c
Physical properties about N-(5-Amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidineamine are:
(1)ACD/LogP:1.68±0.46; (2)# of Rule of 5 Violations:0; (3)ACD/LogD (pH 5.5):1.63; (4)ACD/LogD (pH 7.4):1.68; (5)ACD/BCF (pH 5.5):9.82; (6)ACD/BCF (pH 7.4):11.11; (7)ACD/KOC (pH 5.5): 172.25; (8)ACD/KOC (pH 7.4): 194.96; (9)#H bond acceptors:5; (10)#H bond donors:3; (11)#Freely Rotating Bonds:3; (12)Index of Refraction:1.688; (13)Molar Refractivity:83.6±0.3 cm3; (14)Molar Volume:219.0±3.0 cm3; (15)Polarizability:33.1±0.5 10-24cm3; (16)Surface Tension:64.2±3.0 dyne/cm; (17)Density:1.3±0.1 g/cm3; (18)Flash Point:278.8±32.9 °C; (19)Enthalpy of Vaporization:81.4±3.0 kJ/mol; (20)Boiling Point:537.3±60.0 °C at 760 mmHg; (21)Vapour Pressure:0.0±1.4 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)N;
(2)Std. InChI:InChI=1S/C16H15N5/c1-11-4-5-13(17)9-15(11)21-16-19-8-6-14(20-16)12-3-2-7-18-10-12/h2-10H,17H2,1H3,(H,19,20,21);
(3)Std. InChIKey:QGAIPGVQJVGBIA-UHFFFAOYSA-N.