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5-Pyrimidineaceticacid, 2-amino-1,6-dihydro-4-methyl-6-oxo-, ethyl ester (499209-19-7)

Identification
Name:5-Pyrimidineaceticacid, 2-amino-1,6-dihydro-4-methyl-6-oxo-, ethyl ester
Synonyms:5-Pyrimidineaceticacid, 2-amino-1,4-dihydro-6-methyl-4-oxo-, ethyl ester (9CI);Ethyl (2-amino-4-hydroxy-6-methyl-5-pyrimidinyl)acetate;
CAS:499209-19-7
Molecular Formula: C9H13N3O3
Molecular Weight: 211.22
InChI: InChI=1/C9H13N3O3/c1-3-15-7(13)4-6-5(2)11-9(10)12-8(6)14/h3-4H2,1-2H3,(H3,10,11,12,14)
Molecular Structure: (C9H13N3O3) 5-Pyrimidineaceticacid, 2-amino-1,4-dihydro-6-methyl-4-oxo-, ethyl ester (9CI);Ethyl (2-amino-4-hydr...
Properties
Flash Point: 165.2°C
Boiling Point: 349.5°Cat760mmHg
Density:1.36g/cm3
Refractive index:1.591
Specification:

The CAS register number of Ethyl (2-amino-4-hydroxy-6-methyl-5-pyrimidinyl)acetate is 499209-19-7. It also can be called as (2-Amino-4-hydroxy-6-methylpyrimidin-5-yl)acetic acid ethyl ester and the IUPAC name about this chemical is ethyl 2-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)acetate. The molecular formula about this chemical is C9H13N3O3 and molecular weight is 211.22. It belongs to the Pyrimidine Series.

Physical properties about Ethyl (2-amino-4-hydroxy-6-methyl-5-pyrimidinyl)acetate are: (1)ACD/LogP: 0.66; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 62.21Å2; (10)Index of Refraction: 1.591; (11)Molar Refractivity: 52.21 cm3; (12)Molar Volume: 154.5 cm3; (13)Polarizability: 20.7x10-24cm3; (14)Surface Tension: 49.1 dyne/cm; (15)Enthalpy of Vaporization: 59.4 kJ/mol; (16)Boiling Point: 349.5 °C at 760 mmHg; (17)Vapour Pressure: 4.69E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1/N=C(\N\C(=C\1CC(=O)OCC)C)N
(2)InChI: InChI=1/C9H13N3O3/c1-3-15-7(13)4-6-5(2)11-9(10)12-8(6)14/h3-4H2,1-2H3,(H3,10,11,12,14)
(3)InChIKey: QQVHAVBZUUKKSU-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H13N3O3/c1-3-15-7(13)4-6-5(2)11-9(10)12-8(6)14/h3-4H2,1-2H3,(H3,10,11,12,14)
(5)Std. InChIKey: QQVHAVBZUUKKSU-UHFFFAOYSA-N

Flash Point: 165.2°C
Safety Data
 

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