2-AMINO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
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2-AMINO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
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CAS No:
57401-76-0
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Formula:
C7H9N3O2
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Chemical Name:
2-AMINO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
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Synonyms:
ETHYL 2-AMINO-5-PYRIMIDINECARBOXYLATE;2-AMINO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER;5-Carbethoxy-2-pyriMidinaMine;5-PyriMidinecarboxylic acid, 2-aMino-, ethyl ester;2-Amino-5-pyrimidinecarboxylic acid ethyl ester;NSC 165511;EOS-60351
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CAS No:
2-AMINO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER Basic Attributes
167.17
167.069473
165511
DTXSID40304357
2933599090
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2-AMINO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER Use and Manufacturing
Ethyl 2-(methylsulfonyl)pyrimidine-5-carboxylate (2.15 g, 9.34 mmol) was dissolved in acetonitrile (11.7 ml), and, with stirring at room temperature, aqueous 32percent ammonium hydroxide (11.36 ml, 93 mmol) was added drop wise. A white suspension was obtained after few seconds. Acetonitrile was evaporated and the aqueous suspension was filtered on a buckner funnel. The obtained solid was washed with water (20 ml) and dried affording ethyl 2-aminopyrimidine-5-carboxylate as a white solid (1.192 g, 7.13 mmol, 76percent yield, MS/ESIEthyl 2-(methylsulfonyl)pyrimidine-5-carboxylate (2.15 g, 9.34 mmol) was dissolved in acetonitrile (1 1.7 ml) and, stirring at room temperature, aqueous 32percent ammonium hydroxide (1 1.36 ml, 93 mmol) was added drop wise. A white suspension was obtained after few seconds. Acetonitrile was evaporated and the aqueous suspension was filtered on a buckner funnel. The obtained solid was washed with water (20 ml) and dried affording ethyl 2-aminopyrimidine-5- carboxylate as a white solid (1.192 g, 7.13 mmol, 76percent yield, MS/ESI
Computed Properties
Molecular Weight:167.17
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:167.069476538
Monoisotopic Mass:167.069476538
Topological Polar Surface Area:78.1
Heavy Atom Count:12
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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