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| CAS No.: | 6960-17-4 |
|---|---|
| Name: | 2,5-Dimethoxy-4-pyrimidinamine |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C6H9N3O2 |
| Molecular Weight: | 155.156 |
| Synonyms: | Pyrimidine,4-amino-2,5-dimethoxy- (6CI,7CI,8CI);NSC 69792;4-Pyrimidinamine,2,5-dimethoxy-; |
| Density: | 1.23 g/cm3 |
| Melting Point: | 180-181℃ (water ) |
| Boiling Point: | 316.24 °C at 760 mmHg |
| Flash Point: | 145.057 °C |
| PSA: | 70.26000 |
| LogP: | 0.65720 |
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- Total:26 Page 1 of 1 1
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Specification
2,5-Dimethoxy-4-pyrimidinamine is an organic compound with the formula C6H9N3O2, and its systematic name is the same with the product name. With the CAS registry number 6960-17-4, it is also named as 4-Pyrimidinamine,2,5-dimethoxy-. In addition, the molecular weight is 155.15.
Physical properties of 2,5-Dimethoxy-4-pyrimidinamine are: (1)ACD/LogP: 0.205; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.07; (4)ACD/LogD (pH 7.4): 0.20; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 22.63; (8)ACD/KOC (pH 7.4): 30.67; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 70.26 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 40.029 cm3; (15)Molar Volume: 126.166 cm3; (16)Polarizability: 15.869×10-24cm3; (17)Surface Tension: 49.55 dyne/cm; (18)Density: 1.23 g/cm3; (19)Flash Point: 145.057 °C; (20)Enthalpy of Vaporization: 55.755 kJ/mol; (21)Boiling Point: 316.24 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1nc(N)c(OC)cn1)C
(2)Std. InChI: InChI=1S/C6H9N3O2/c1-10-4-3-8-6(11-2)9-5(4)7/h3H,1-2H3,(H2,7,8,9)
(3)Std. InChIKey: XOJPOIGPYBYDJF-UHFFFAOYSA-N