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CAS No.: | 5018-41-7 |
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Name: | 4-Amino-6-chloro-5-methoxypyrimidine |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C5H6ClN3O |
Molecular Weight: | 159.575 |
Synonyms: | Pyrimidine,4-amino-6-chloro-5-methoxy- (7CI,8CI);4-Amino-5-methoxy-6-chloropyrimidine;4-Amino-6-chloro-5-methoxypyrimidine; |
EINECS: | 225-700-5 |
Density: | 1.398 g/cm3 |
Melting Point: | 176-178 °C |
Boiling Point: | 305.417 °C at 760 mmHg |
Flash Point: | 138.511 °C |
PSA: | 61.03000 |
LogP: | 1.30200 |
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The 4-Amino-6-chloro-5-methoxypyrimidine, with the CAS registry number 5018-41-7, is also known as 6-Chloro-5-methoxypyrimidin-4-amine. Its EINECS number is 225-700-5. This chemical's molecular formula is C5H6ClN3O and molecular weight is 159.57. What's more, its systematic name is 6-Chloro-5-methoxy-4-pyrimidinamine.
Physical properties of 4-Amino-6-chloro-5-methoxypyrimidine are: (1)ACD/LogP: 0.458; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.46; (4)ACD/LogD (pH 7.4): 0.46; (5)ACD/BCF (pH 5.5): 1.31; (6)ACD/BCF (pH 7.4): 1.31; (7)ACD/KOC (pH 5.5): 42.26; (8)ACD/KOC (pH 7.4): 42.26; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 61.03 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 38.245 cm3; (15)Molar Volume: 114.114 cm3; (16)Polarizability: 15.162×10-24cm3; (17)Surface Tension: 57.3 dyne/cm; (18)Density: 1.398 g/cm3; (19)Flash Point: 138.511 °C; (20)Enthalpy of Vaporization: 54.586 kJ/mol; (21)Boiling Point: 305.417 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ncnc(N)c1OC
(2)Std. InChI: InChI=1S/C5H6ClN3O/c1-10-3-4(6)8-2-9-5(3)7/h2H,1H3,(H2,7,8,9)
(3)Std. InChIKey: AAJZJNHQPBMCFV-UHFFFAOYSA-N