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CAS No.: | 219715-62-5 |
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Name: | 2-Amino-5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C7H9N5O2 |
Molecular Weight: | 195.181 |
Synonyms: | 2-Amino-5,8-Dimethoxy-[1,2,4]Triazolo[1,5-C]Pyrimidine |
Density: | 1.61 g/cm3 |
Melting Point: | 201-203 °C |
PSA: | 88.29000 |
LogP: | -0.34620 |
2-amino-5,8-dimethoxy[1,2,4]triazolo-[1,5-c]pyrimidine
Conditions | Yield |
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With sodium methylate In methanol at 20℃; for 3h; | 92.8% |
With sodium methylate In methanol | 92.8% |
4-[4-(2,5-dimethoxypyrimidinyl)]
2-amino-5,8-dimethoxy[1,2,4]triazolo-[1,5-c]pyrimidine
Conditions | Yield |
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With hydroxylamine hydrochloride; sodium methylate; triethylamine In 1,4-dioxane; methanol at 20 - 30℃; | 91.2% |
5-chloro-8-methoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
sodium methylate
2-amino-5,8-dimethoxy[1,2,4]triazolo-[1,5-c]pyrimidine
Conditions | Yield |
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In methanol; acetonitrile at 20℃; for 1.5h; | 88% |
2-Chloro-4-hydrazino-5-methoxy-pyrimidine
2-amino-5,8-dimethoxy[1,2,4]triazolo-[1,5-c]pyrimidine
Conditions | Yield |
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With bromocyane; sodium methylate In methanol; acetonitrile; tert-butyl alcohol at 0 - 41℃; for 7h; | 82.4% |
2-amino-5,8-dimethoxy[1,2,4]triazolo-[1,5-c]pyrimidine
Conditions | Yield |
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With hydroxylamine hydrochloride; sodium hydroxide In ethanol; water at 40 - 50℃; for 4.5h; Temperature; Solvent; Concentration; | 76.4% |
bromocyane
2-Chloro-4-hydrazino-5-methoxy-pyrimidine
2-amino-5,8-dimethoxy[1,2,4]triazolo-[1,5-c]pyrimidine
Conditions | Yield |
---|---|
With sodium methylate In acetonitrile; tert-butyl alcohol at 21 - 42℃; for 5.2h; | 74.7% |
Ethoxycarbonyl isothiocyanate
2,5-dimethoxy-4-aminopyrimidine
2-amino-5,8-dimethoxy[1,2,4]triazolo-[1,5-c]pyrimidine
Conditions | Yield |
---|---|
Stage #1: Ethoxycarbonyl isothiocyanate; 4-amino-2,5-dimethoxypyrimidine In toluene at 27 - 87℃; Stage #2: In water; toluene at 40℃; Stage #3: With hydroxylamine In water; toluene at 68 - 81℃; pH=4.44 - 7.40; pH-value; Solvent; Temperature; Time; Reagent/catalyst; | 70.4% |
2,5-dimethoxy-4-cyanoaminopyrimidine
2-amino-5,8-dimethoxy[1,2,4]triazolo-[1,5-c]pyrimidine
Conditions | Yield |
---|---|
Stage #1: 2,5-dimethoxy-4-cyanoaminopyrimidine With hydroxylamine hydrochloride; triethylamine In acetonitrile at 45℃; for 2h; Stage #2: With triethylamine; methyl chloroformate In acetonitrile at 5.8 - 76℃; for 4h; | 52.8% |
Multi-step reaction with 2 steps 1: hydroxylamine hydrochloride; triethylamine / methanol / 3 h / 45 °C 2: triethylamine; chloroformic acid ethyl ester / ethyl acetate; water / 12 h / 48 - 78 °C View Scheme |
3-amino-8-methoxy-5-methylthio-1,2,4-triazolo[4,3-c]pyrimidine hydrobromide
sodium methylate
2-amino-5,8-dimethoxy[1,2,4]triazolo-[1,5-c]pyrimidine
Conditions | Yield |
---|---|
With ethyl acrylate In methanol at 20℃; Cooling with ice; |
2-chloro-5-methoxypyrimidin-4-amine
2-amino-5,8-dimethoxy[1,2,4]triazolo-[1,5-c]pyrimidine
Conditions | Yield |
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Multi-step reaction with 3 steps 1: ethyl acetate / 10 h / Reflux 2: hydroxylamine hydrochloride; sodium hydrogencarbonate / water; tert-butyl alcohol / 5 h / 20 °C 3: acetonitrile; methanol / 1.5 h / 20 °C View Scheme |
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With the CAS registry number 219715-62-5, the systematic name of this chemical is 5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-amine. The formula is C7H9N5O2 and molecular weight is 195.18. When use it, people should be careful.
The other characteristics of 5,8-Dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine can be summarized as: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 16; (6)ACD/KOC (pH 7.4): 17; (7)#H bond acceptors: 7; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 87.56 Å2; (11)Index of Refraction: 1.706; (12)Molar Refractivity: 47.144 cm3; (13)Molar Volume: 121.217 cm3; (14)Polarizability: 18.689×10-24 cm3; (15)Surface Tension: 61.095 dyne/cm; (16)Density: 1.61 g/cm3.
People can use the following data to convert to the molecule structure.
1. SMILES:n1c(nn2c1c(OC)cnc2OC)N
2. InChI:InChI=1/C7H9N5O2/c1-13-4-3-9-7(14-2)12-5(4)10-6(8)11-12/h3H,1-2H3,(H2,8,11)
3. InChIKey:DBJPBHJHAPAUQU-UHFFFAOYAY
4. Std. InChI:InChI=1S/C7H9N5O2/c1-13-4-3-9-7(14-2)12-5(4)10-6(8)11-12/h3H,1-2H3,(H2,8,11)
5. Std. InChIKey:DBJPBHJHAPAUQU-UHFFFAOYSA-N