Ethyl 4-amino-2-hydroxypyrimidine-5-carboxylate supplier

Name
Ethyl 4-amino-2-hydroxypyrimidine-5-carboxylate
EINECS
CAS No. 20187-46-6
Density 1.48 g/cm³
Solubility
Melting Point 276 °C (decomp)
Formula C₇H₉N₃O₃
Boiling Point 434.4 °C at 760 mmHg
Molecular Weight 183.167
Flash Point 216.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Pyrimidinecarboxylicacid, 4-amino-1,2-dihydro-2-oxo-, ethyl ester (8CI,9CI);5-Pyrimidinecarboxylicacid, 4-amino-2-hydroxy-, ethyl ester (6CI);Ethyl cytosine-5-carboxylate;NSC122015;NSC 1574;NSC 163112;
PSA 98.33000
LogP 0.52230

Ethyl 4-amino-2-hydroxypyrimidine-5-carboxylate Specification

The Ethyl 4-amino-2-hydroxypyrimidine-5-carboxylate is an organic compound with the formula C₇H₉N₃O₃. The IUPAC name of this chemical is ethyl 6-amino-2-oxo-1H-pyrimidine-5-carboxylate. With the CAS registry number 20187-46-6, it is also named as 4-Amino-2-oxo-1,2-dihydro-pyrimidine-5-carboxylic acid ethyl ester. In addition, the molecular weight is 183.16.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.9; (4)ACD/LogD (pH 7.4): -3.9; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 62.21 Å²; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 43.18 cm³; (15)Molar Volume: 123.1 cm³; (16)Polarizability: 17.11×10^-24 cm³; (17)Surface Tension: 57.7 dyne/cm; (18)Density: 1.48 g/cm³; (19)Flash Point: 216.5 °C; (20)Enthalpy of Vaporization: 71.71 kJ/mol; (21)Boiling Point: 434.4 °C at 760 mmHg; (22)Vapour Pressure: 3.75E-08 mmHg at 25°C.

Uses of Ethyl 4-amino-2-hydroxypyrimidine-5-carboxylate: It can react with chloroacetyl chloride to get 4-(2-chloro-acetylamino)-2-oxo-1,2-dihydro-pyrimidine-5-carboxylic acid ethyl ester. This reaction needs solvent benzene by heating. The reaction time is 3 hours. The yield is 73%.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C1/N=C\C(\C(=O)OCC)=C(\N)N1
2. InChI:InChI=1/C7H9N3O3/c1-2-13-6(11)4-3-9-7(12)10-5(4)8/h3H,2H2,1H3,(H3,8,9,10,12)
3. InChIKey:GGHDCMZITFQXRE-UHFFFAOYAK

Product Name

Ethyl 4-amino-2-hydroxypyrimidine-5-carboxylate

Ethyl 4-amino-2-hydroxypyrimidine-5-carboxylate Specification

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