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CAS No.: | 13418-77-4 |
---|---|
Name: | 2-AMINO-5-METHOXYPYRIMIDINE |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C5H7N3O |
Molecular Weight: | 125.13 |
Synonyms: | Pyrimidine,2-amino-5-methoxy- (6CI,7CI,8CI);5-Methoxy-2-pyrimidinamine;5-Methoxypyrimidin-2-ylamine; |
Density: | 1.224 g/cm3 |
Melting Point: | 86-88 °C |
Boiling Point: | 313.1 °C at 760 mmHg |
Flash Point: | 143.2 °C |
Appearance: | Yellow to tan solid |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 61.03000 |
LogP: | 0.64860 |
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The 2-Pyrimidinamine,5-methoxy- is an organic compound with the formula C5H7N3O. The systematic name of this chemical is 5-methoxypyrimidin-2-amine. With the CAS registry number 13418-77-4, it is also named as 2-Amino-5-methoxypyrimidine. The product's categories are Pyrimidine; Heterocyclic Compounds; Bases & Related Reagents; Heterocycles; Nucleotides.
Physical properties about 2-Pyrimidinamine,5-methoxy- are: (1)ACD/LogP: -0.31; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 15.65; (5)ACD/KOC (pH 7.4): 16.26; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 38.25Å2; (10)Index of Refraction: 1.566; (11)Molar Refractivity: 33.35 cm3; (12)Molar Volume: 102.1 cm3; (13)Polarizability: 13.22×10-24cm3; (14)Surface Tension: 54.8 dyne/cm; (15)Density: 1.224 g/cm3; (16)Flash Point: 143.2 °C; (17)Enthalpy of Vaporization: 55.42 kJ/mol; (18)Boiling Point: 313.1 °C at 760 mmHg; (19)Vapour Pressure: 0.000506 mmHg at 25°C.
Uses of 2-Pyrimidinamine,5-methoxy-: it can be used to produce 2-amino-pyrimidin-5-ol by heating. It will need reagent BBr3 and solvent benzene with reaction time of 6 hours. The yield is about 84%.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cnc(nc1)N)C
(2)InChI: InChI=1/C5H7N3O/c1-9-4-2-7-5(6)8-3-4/h2-3H,1H3,(H2,6,7,8)
(3)InChIKey: KAHHAPNRIQLSFT-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C5H7N3O/c1-9-4-2-7-5(6)8-3-4/h2-3H,1H3,(H2,6,7,8)
(5)Std. InChIKey: KAHHAPNRIQLSFT-UHFFFAOYSA-N