2-Pyrimidinamine,4-(5-bromo-2-thienyl)-6-methyl- supplier

Name
4-(5-BROMO-2-THIENYL)-6-METHYL-2-PYRIMIDINAMINE
EINECS
CAS No. 26963-44-0
Density 1.633 g/cm³
Solubility
Melting Point
Formula C₉H₈BrN₃S
Boiling Point 427 °C at 760 mmHg
Molecular Weight 270.153
Flash Point 212.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrimidine,2-amino-4-(5-bromo-2-thienyl)-6-methyl- (8CI);
PSA 80.04000
LogP 3.43940

2-Pyrimidinamine,4-(5-bromo-2-thienyl)-6-methyl- Specification

The 2-Pyrimidinamine,4-(5-bromo-2-thienyl)-6-methyl- is an organic compound with the formula C₉H₈BrN₃S. The systematic name of this chemical is 4-(5-Bromothiophen-2-yl)-6-methylpyrimidin-2-amine. With the CAS registry number 26963-44-0, it is also named as 4-(5-Bromo-2-thienyl)-6-methyl-2-pyrimidinamine. Besides, its molecular weight is 270.15.

The physical properties of 2-Pyrimidinamine,4-(5-bromo-2-thienyl)-6-methyl- are: (1)ACD/LogP: 2.71; (2)ACD/LogD (pH 5.5): 2.7; (3)ACD/LogD (pH 7.4): 2.71; (4)ACD/BCF (pH 5.5): 66.68; (5)ACD/BCF (pH 7.4): 67.56; (6)ACD/KOC (pH 5.5): 700.75; (7)ACD/KOC (pH 7.4): 710.03; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 57.26 Å²; (12)Index of Refraction: 1.675; (13)Molar Refractivity: 62.16 cm³; (14)Molar Volume: 165.3 cm³; (15)Polarizability: 24.64×10^-24 cm³; (16)Surface Tension: 63 dyne/cm; (17)Density: 1.633 g/cm³; (18)Flash Point: 212.1 °C; (19)Enthalpy of Vaporization: 68.19 kJ/mol; (20)Boiling Point: 427 °C at 760 mmHg; (21)Vapour Pressure: 1.69E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2sc(c1nc(nc(c1)C)N)cc2
(2)InChI: InChI=1/C9H8BrN3S/c1-5-4-6(13-9(11)12-5)7-2-3-8(10)14-7/h2-4H,1H3,(H2,11,12,13)
(3)InChIKey: IFRBOBPDAAVOJF-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H8BrN3S/c1-5-4-6(13-9(11)12-5)7-2-3-8(10)14-7/h2-4H,1H3,(H2,11,12,13)
(5)Std. InChIKey: IFRBOBPDAAVOJF-UHFFFAOYSA-N

Product Name

4-(5-BROMO-2-THIENYL)-6-METHYL-2-PYRIMIDINAMINE

2-Pyrimidinamine,4-(5-bromo-2-thienyl)-6-methyl- Specification

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