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2-Pyrimidinamine,4-methoxy-(9CI)

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Name

2-Pyrimidinamine,4-methoxy-(9CI)

EINECS N/A
CAS No. 155-90-8 Density 1.225 g/cm3
PSA 61.03000 LogP 0.64860
Solubility N/A Melting Point 119-120 °C
Formula C5H7N3O Boiling Point 313.131 °C at 760 mmHg
Molecular Weight 125.13 Flash Point 143.177 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 155-90-8 (2-Pyrimidinamine, 4-methoxy- (9CI)) Hazard Symbols N/A
Synonyms

Pyrimidine,2-amino-4-methoxy- (6CI,7CI,8CI);4-Methoxy-2-aminopyrimidine;4-Methoxy-2-pyrimidinamine;(4-Methoxypyrimidin-2-yl)amine;2-Amino-4-methoxypyrimidine;NSC 25503;

Article Data 27

2-Pyrimidinamine,4-methoxy-(9CI) Specification

The 2-Pyrimidinamine,4-methoxy- is an organic compound with the formula C5H7N3O. The IUPAC name of this chemical is 4-Methoxypyrimidin-2-amine. With the CAS registry number 155-90-8, it is also named as Pyrimidine, 2-amino-4-methoxy-. The product's categories are Pyrimidine; Amines; Imidazoles and Benzimidazoles; Pyrazines, Pyrimidines and Pyridazines. Besides, its molecular weight is 125.13.

Physical properties about 2-Pyrimidinamine,4-methoxy- are: (1)ACD/LogP: -0.31; (2)ACD/LogD (pH 5.5): -0.38; (3)ACD/LogD (pH 7.4): -0.31; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 13.73; (7)ACD/KOC (pH 7.4): 16.23; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 38.25 Å2; (12)Index of Refraction: 1.566; (13)Molar Refractivity: 33.35 cm3; (14)Molar Volume: 102.1 cm3; (15)Polarizability: 13.22×10-24 cm3; (16)Surface Tension: 54.8 dyne/cm; (17)Density: 1.224 g/cm3; (18)Flash Point: 143.2 °C; (19)Enthalpy of Vaporization: 55.42 kJ/mol; (20)Boiling Point: 313.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000506 mmHg at 25 °C.

Uses of 2-Pyrimidinamine,4-methoxy-: it can be used to produce 7-Methoxy-2-(2-methoxy-4-methylsulfanyl-phenyl)-imidazo[1,2-a]pyrimidine at temperature of 80 °C. It will need solvent ethanol with reaction time of 5 hours. The yield is about 44%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C5H7N3O/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,8)
(2)InChIKey: YNXLSFXQTQKQEF-UHFFFAOYAG
(3)Std. InChI: InChI=1S/C5H7N3O/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,8)
(4)Std. InChIKey: YNXLSFXQTQKQEF-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 125mg/kg (125mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 375, 1954.

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