Basic information
- Name:
2-Pyrimidinamine,5-bromo-N,N-dimethyl-
- CAS No.:
38696-21-8
- Molecular Structure:
- Formula:
- C6H8BrN3
- Molecular Weight:
- 202.05
- Synonyms:
- 2-Dimethylamino-5-bromopyrimidine;5-Bromo-2-dimethylaminopyrimidine;5-Bromo-N,N-dimethyl-2-pyrimidinamine;
- Density:
- 1.554 g/cm3
- Boiling Point:
- 271.959 °C at 760 mmHg
- Flash Point:
- 118.277 °C
- Hazard Symbols:
Xi,
Xn
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Specification
The systematic name of 2-Pyrimidinamine,5-bromo-N,N-dimethyl- is 5-bromo-N,N-dimethylpyrimidin-2-amine. With the CAS registry number 38696-21-8, it is also named as 2-Dimethylamino-5-bromopyrimidine. The product's categories are Pyrimidine; Amino; Organohalides. In addition, its molecular formula is C6H8BrN3 and its molecular weight is 202.05.
The other characteristics of 2-Pyrimidinamine,5-bromo-N,N-dimethyl- can be summarized as: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 15; (6)ACD/BCF (pH 7.4): 15; (7)ACD/KOC (pH 5.5): 239; (8)ACD/KOC (pH 7.4): 239; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.02 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 44.439 cm3; (15)Molar Volume: 130.057 cm3; (16)Polarizability: 17.617×10-24cm3; (17)Surface Tension: 51.314 dyne/cm; (18)Density: 1.554 g/cm3; (19)Flash Point: 118.277 °C; (20)Enthalpy of Vaporization: 51.022 kJ/mol; (21)Boiling Point: 271.959 °C at 760 mmHg; (22)Vapour Pressure: 0.006 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Brc1cnc(nc1)N(C)C
(2)InChI: InChI=1/C6H8BrN3/c1-10(2)6-8-3-5(7)4-9-6/h3-4H,1-2H3
(3)InChIKey: NYMYGNLCILQUMT-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6H8BrN3/c1-10(2)6-8-3-5(7)4-9-6/h3-4H,1-2H3
(5)Std. InChIKey: NYMYGNLCILQUMT-UHFFFAOYSA-N
