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CAS No.: | 171887-03-9 |
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Name: | N-(2-Amino-4,6-dichloro-5-pyrimidinyl)formamide |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C5H4Cl2N4O |
Molecular Weight: | 207.019 |
Synonyms: | N-(2-Amino-4,6-dichloropyrimidin-5-yl)formamide;N-(2-Amino-4,6-dichloro-5-pyrimidinyl)formamide; |
EINECS: | 425-650-6 |
Density: | 1.742 g/cm3 |
Melting Point: | 4.5 °C |
Boiling Point: | 554.77 °C at 760 mmHg |
Flash Point: | 289.315 °C |
Hazard Symbols: | Xi |
Risk Codes: | R36/38; R36/37/38 |
PSA: | 80.90000 |
LogP: | 2.22400 |
N-(2-amino-4,6-dichloropyrimidin-5-yl)formamide
Conditions | Yield |
---|---|
With 5%-palladium/activated carbon; hydrogen In methanol at 40℃; under 7500.75 - 11251.1 Torr; for 4h; Temperature; Autoclave; | 98% |
formic acid
2,5-diamino-4,6-dichloropyrimidine
N-(2-amino-4,6-dichloropyrimidin-5-yl)formamide
Conditions | Yield |
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Stage #1: formic acid; 2,5-diamino-4,6-dichloropyrimidine at 50 - 55℃; for 3h; Stage #2: In toluene at 50℃; under reduced pressure; | 90% |
N,N-dimethyl-formamide
N-(2-amino-4,6-dichloropyrimidin-5-yl)formamide
Conditions | Yield |
---|---|
With thionyl chloride; trichlorophosphate at 80℃; for 2.5h; Temperature; | 82.6% |
2-amino-5-{[(dimethylamino)methylene]amino}-4,6-dichloropyrimidine
N-(2-amino-4,6-dichloropyrimidin-5-yl)formamide
Conditions | Yield |
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In phosphate buffer for 4h; pH=3.2; Hydrolysis; Heating; | 72% |
N-(2-amino-4,6-dichloropyrimidin-5-yl)formamide
Conditions | Yield |
---|---|
With potassium dihydrogenphosphate; phosphoric acid In chloroform methanol | 68% |
2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride
N,N-dimethyl-formamide
N-(2-amino-4,6-dichloropyrimidin-5-yl)formamide
Conditions | Yield |
---|---|
Stage #1: N,N-dimethyl-formamide With trichlorophosphate at 50℃; for 0.75h; Stage #2: 2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride at 70 - 90℃; for 17.45 - 20.45h; Stage #3: With sodium hydroxide; water at 20 - 97℃; for 4 - 8h; pH=0.5 - 4.0; Product distribution / selectivity; | 37.4% |
2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride
N-(2-amino-4,6-dichloropyrimidin-5-yl)formamide
Conditions | Yield |
---|---|
With sodium hydroxide; phosphoric acid; trichlorophosphate In N-methyl-acetamide; water; toluene |
2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride
N-(2-amino-4,6-dichloropyrimidin-5-yl)formamide
Conditions | Yield |
---|---|
With sodium hydroxide; trichlorophosphate In N-methyl-acetamide; water | |
With sodium hydroxide; trichlorophosphate In N-methyl-acetamide; water |
2,5-bis{[(dimethylamino)methylene]amino}-4,6-dichloropyrimidine
N-(2-amino-4,6-dichloropyrimidin-5-yl)formamide
Conditions | Yield |
---|---|
With sodium hydroxide; phosphoric acid; water at 100℃; for 4h; pH=4; Product distribution / selectivity; |
2,5-diamino-4,6-dichloropyrimidine
N-(2-amino-4,6-dichloropyrimidin-5-yl)formamide
Conditions | Yield |
---|---|
With formic acid In water; toluene |
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The N-(2-Amino-4,6-Dichloro-5-Pyrimidinyl)Formamide, with the CAS registry number 171887-03-9, is also known as N-(2-Amino-4,6-dichloropyrimidin-5-yl)formamide; 2-Amino-4,6-dichloro-5-formamidopyrimidine. It belongs to the product categories of Bases & Related Reagents;Heterocycles;Nucleotides.This chemical's molecular formula is C5H4Cl2N4O and molecular weight is 207.02. What's more,Its systematic name is N-(2-Amino-4,6-Dichloro-5-Pyrimidinyl)Formamide.It is an Abacavir intermediate,A purine derivative.
Physical properties about N-(2-Amino-4,6-Dichloro-5-Pyrimidinyl)Formamide are:
(1)ACD/LogP: 1.202; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.20; (4)ACD/LogD (pH 7.4): 1.20; (5)ACD/BCF (pH 5.5): 4.83; (6)ACD/BCF (pH 7.4): 4.83; (7)ACD/KOC (pH 5.5): 107.40; (8)ACD/KOC (pH 7.4): 107.39; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.706; (13)Molar Refractivity: 46.258 cm3; (14)Molar Volume: 118.837 cm3; (15)Surface Tension: 85.0719985961914 dyne/cm; (16)Density: 1.742 g/cm3; (17)Flash Point: 289.315 °C; (18)Enthalpy of Vaporization: 83.592 kJ/mol; (19)Boiling Point: 554.77 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:Clc1nc(nc(Cl)c1NC=O)N;
(2)Std. InChI:InChI=1S/C5H4Cl2N4O/c6-3-2(9-1-12)4(7)11-5(8)10-3/h1H,(H,9,12)(H2,8,10,11);
(3)Std. InChIKey:XYWHZUCZNRMJGO-UHFFFAOYSA-N.