CAS No.56741-95-8,2-AMINO-5-BROMO-4-HYDROXY-6-PHENYLPYRIMIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	56741-95-8
Name:	2-AMINO-5-BROMO-4-HYDROXY-6-PHENYLPYRIMIDINE
Article Data:	6

Formula:	C₁₀H₈BrN₃O
Molecular Weight:	266.097
Synonyms:	Bropirimine;2-Amino-5-bromo-6-phenyl-1H-pyrimidin-4-one;4-Pyrimidinol, 2-amino-5-bromo-6-phenyl-;4 (1H)-Pyrimidinone, 2-amino-5-bromo-6-phenyl-;2-Amino-5-bromo-6-phenyl-4(1H)-pyrimidinone;ABPP;4(1H)-Pyrimidinone, 5-bromo-2, 3-dihydro-2-imino-6-phenyl-;4(1H)-Pyrimidinone,2-amino-5-bromo-6- phenyl-;U-54461;
Density:	1.74 g/cm³
Melting Point:	285-287° (Stevens); mp 246-248° (Brown, Stevens)
Boiling Point:	389.7 °C at 760 mmHg
Flash Point:	189.5 °C
Solubility:	7.8mg/L(37 oC)
Hazard Symbols:	Xn
Risk Codes:	63-62
PSA:	72.03000
LogP:	2.77510

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Specification

The 2-Amino-5-bromo-6-phenylpyrimidin-4-ol with CAS registry number of 56741-95-8 is also known as Bropirimine. The IUPAC name is 2-Amino-5-bromo-6-phenyl-1H-pyrimidin-4-one. In addition, the formula is C₁₀H₈BrN₃O and the molecular weight is 266.09.

Physical properties about 2-Amino-5-bromo-6-phenylpyrimidin-4-ol are: (1)ACD/LogP: 1.57; (2)ACD/LogD (pH 5.5): 1.56; (3)ACD/LogD (pH 7.4): 1.26; (4)ACD/BCF (pH 5.5): 9.02; (5)ACD/BCF (pH 7.4): 4.54; (6)ACD/KOC (pH 5.5): 167.4; (7)ACD/KOC (pH 7.4): 84.26; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.715; (12)Molar Refractivity: 59.96 cm³; (13)Molar Volume: 152.6 cm³; (14)Surface Tension: 61.1 dyne/cm; (15)Density: 1.74 g/cm³; (16)Flash Point: 189.5 °C; (17)Enthalpy of Vaporization: 63.9 kJ/mol; (18)Boiling Point: 389.7 °C at 760 mmHg; (19)Vapour Pressure: 2.8E-06 mmHg at 25 °C.

Uses of 2-Amino-5-bromo-6-phenylpyrimidin-4-ol: it is used to produce 2-(acetylamino)-5-bromo-6-phenyl-4(3H)-pyrimidinone by reaction with acetic acid anhydride. The reaction occurs by heating for 2 hours. The yield is about 83%.

2-Amino-5-bromo-6-phenylpyrimidin-4-ol is used to produce 2-(acetylamino)-5-bromo-6-phenyl-4(3H)-pyrimidinone by reaction with acetic acid anhydride.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N)Br
2. InChI: InChI=1S/C10H8BrN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)
3. InChIKey: CIUUIPMOFZIWIZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	> 3200mg/kg (3200mg/kg)		Drugs of the Future. Vol. 9, Pg. 567, 1984.