-
Name
5-Bromo-4-(dimethylamino)-2-methoxypyrimidine
- EINECS
- CAS No. 57054-81-6
- Density 1.506g/cm3
- Solubility
- Melting Point 29-31 °C
- Formula C7H10BrN3O
- Boiling Point 311.6 °C at 760 mmHg
- Molecular Weight 232.08
- Flash Point 142.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes 22
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 5-Bromo-4-(dimethylamino)-2-methoxypyrimidine;
- PSA 38.25000
- LogP 1.31370
4-Pyrimidinamine,5-bromo-2-methoxy-N,N-dimethyl- Specification
The 4-Pyrimidinamine,5-bromo-2-methoxy-N,N-dimethyl-, with CAS registry number 57054-81-6, belongs to the following product categories: (1)Organohalides; (2)Pyrimidine. It has the systematic name of 5-bromo-2-methoxy-N,N-dimethylpyrimidin-4-amine. And the chemical formula of this chemical is C7H10BrN3O.
Physical properties of 4-Pyrimidinamine,5-bromo-2-methoxy-N,N-dimethyl-: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.38; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 6.28; (6)ACD/BCF (pH 7.4): 7.56; (7)ACD/KOC (pH 5.5): 122.94; (8)ACD/KOC (pH 7.4): 147.98; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.25 Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 51.11 cm3; (15)Molar Volume: 154 cm3; (16)Polarizability: 20.26×10-24cm3; (17)Surface Tension: 47.6 dyne/cm; (18)Density: 1.506 g/cm3; (19)Flash Point: 142.3 °C; (20)Enthalpy of Vaporization: 55.26 kJ/mol; (21)Boiling Point: 311.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000556 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cnc(OC)nc1N(C)C
(2)InChI: InChI=1/C7H10BrN3O/c1-11(2)6-5(8)4-9-7(10-6)12-3/h4H,1-3H3
(3)InChIKey: NOOYIUJOLZYHBS-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C7H10BrN3O/c1-11(2)6-5(8)4-9-7(10-6)12-3/h4H,1-3H3
(5)Std. InChIKey: NOOYIUJOLZYHBS-UHFFFAOYSA-N
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