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2-Pyrimidinamine,4-fluoro-6-methoxy- (130687-25-1)

Identification
Name:2-Pyrimidinamine,4-fluoro-6-methoxy-
Synonyms:2-pyrimidinamine, 4-fluoro-6-methoxy-;4-fluoro-6-methoxypyrimidin-2-amine;
CAS:130687-25-1
Molecular Formula: C5H6FN3O
Molecular Weight: 143.12
InChI: InChI=1/C5H6FN3O/c1-10-4-2-3(6)8-5(7)9-4/h2H,1H3,(H2,7,8,9)
Molecular Structure: (C5H6FN3O) 2-pyrimidinamine, 4-fluoro-6-methoxy-;4-fluoro-6-methoxypyrimidin-2-amine;
Properties
Density:1.345 g/cm3
Refractive index:1.539
Specification:

The 2-Amino-6-fluoro-4-methoxypyrimidine with the cas number 130687-25-1 is also called 2-pyrimidinamine, 4-fluoro-6-methoxy-. Both the systematic name and IUPAC name are 4-fluoro-6-methoxypyrimidin-2-amine. Its molecular formula is C5H6FN3O. Its product category is PYRIMIDINE.

The properties of the chemical are: (1)ACD/LogP: -0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 2.91; (6)ACD/BCF (pH 7.4): 2.91; (7)ACD/KOC (pH 5.5): 74.67; (8)ACD/KOC (pH 7.4): 74.67; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.25 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 33.34 cm3; (15)Molar Volume: 106.3 cm3; (16)Polarizability: 13.21×10-24cm3; (17)Surface Tension: 51.6 dyne/cm ; (18)Enthalpy of Vaporization: 53.44 kJ/mol; (19)Vapour Pressure: 0.00159 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1nc(nc(OC)c1)N
(2)InChI: InChI=1/C5H6FN3O/c1-10-4-2-3(6)8-5(7)9-4/h2H,1H3,(H2,7,8,9)
(3)InChIKey: OTRXRDJKTBCVNS-UHFFFAOYAX

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