Name: 4-(4-BROMOPHENYL)PYRIMIDIN-2-AMINE
SKU: 392326-81-7

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Basic Information

Molecular Structure:
CAS No.:	392326-81-7
Name:	4-(4-BROMOPHENYL)PYRIMIDIN-2-AMINE
Article Data:	2

Formula:	C₁₀H₈BrN₃
Molecular Weight:	250.098
Synonyms:	4-(4-Bromophenyl)pyrimidin-2-amine;2-Amino-4-(4-bromophenyl)pyrimidine;
Density:	1.566 g/cm³
Melting Point:	204-207℃
Boiling Point:	449.4 °C at 760 mmHg
Flash Point:	225.6 °C
Hazard Symbols:	Xi
PSA:	51.80000
LogP:	3.06950

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Specification

The 2-Pyrimidinamine,4-(4-bromophenyl)- is an organic compound with the formula C₁₀H₈BrN₃. The IUPAC name of this chemical is 4-(4-Bromophenyl)pyrimidin-2-amine. With the CAS registry number 392326-81-7, it is also named as 2-Amino-4-(4-bromophenyl)pyrimidine. Besides, its molecular weight is 250.09.

The physical properties of 2-Pyrimidinamine,4-(4-bromophenyl)- are: (1)ACD/LogP: 2.44; (2)ACD/LogD (pH 5.5): 2.44; (3)ACD/LogD (pH 7.4): 2.44; (4)ACD/BCF (pH 5.5): 41.72; (5)ACD/BCF (pH 7.4): 42.22; (6)ACD/KOC (pH 5.5): 501.17; (7)ACD/KOC (pH 7.4): 507.18; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 29.02 Å²; (12)Index of Refraction: 1.66; (13)Molar Refractivity: 58.95 cm³; (14)Molar Volume: 159.6 cm³; (15)Polarizability: 23.37×10^-24 cm³; (16)Surface Tension: 60.5 dyne/cm; (17)Density: 1.566 g/cm³; (18)Flash Point: 225.6 °C; (19)Enthalpy of Vaporization: 70.81 kJ/mol; (20)Boiling Point: 449.4 °C at 760 mmHg; (21)Vapour Pressure: 2.87E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)c2nc(ncc2)N;
(2)InChI: InChI=1/C10H8BrN3/c11-8-3-1-7(2-4-8)9-5-6-13-10(12)14-9/h1-6H,(H2,12,13,14)
(3)InChIKey: ULMOYCJVOJTPCJ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C10H8BrN3/c11-8-3-1-7(2-4-8)9-5-6-13-10(12)14-9/h1-6H,(H2,12,13,14)
(5)Std. InChIKey: ULMOYCJVOJTPCJ-UHFFFAOYSA-N