CAS No.17321-93-6,2-Amino-4-methyl-5-bromopyrimidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17321-93-6
Name:	2-Amino-4-methyl-5-bromopyrimidine
Article Data:	15

Formula:	C₅H₆BrN₃
Molecular Weight:	188.027
Synonyms:	Pyrimidine,2-amino-5-bromo-4-methyl- (7CI,8CI);(5-Bromo-4-methylpyrimidin-2-yl)amine;5-Bromo-4-methyl-2-pyrimidinamine;
Density:	1.699 g/cm³
Melting Point:	192-194℃
Boiling Point:	345.4 °C at 760 mmHg
Flash Point:	162.7 °C
Hazard Symbols:	Xn
Risk Codes:	22-37/38-41
Safety:	26-39
PSA:	51.80000
LogP:	1.71090

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Specification

The systematic name of 2-Pyrimidinamine,5-bromo-4-methyl- is 5-bromo-4-methylpyrimidin-2-amine. With the CAS registry number 17321-93-6, it is also named as 2-Amino-4-methyl-5-bromopyrimidine. In addition, its molecular formula is C₅H₆BrN₃ and its molecular weight is 188.03.

The other characteristics of 2-Pyrimidinamine,5-bromo-4-methyl- can be summarized as: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.01; (4)ACD/LogD (pH 7.4): 1.01; (5)ACD/BCF (pH 5.5): 3.45; (6)ACD/BCF (pH 7.4): 3.46; (7)ACD/KOC (pH 5.5): 84.36; (8)ACD/KOC (pH 7.4): 84.61; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.8 Å²; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 39.18 cm³; (15)Molar Volume: 110.6 cm³; (16)Polarizability: 15.53×10^-24cm³; (17)Surface Tension: 61.3 dyne/cm; (18)Density: 1.699 g/cm³; (19)Flash Point: 162.7 °C; (20)Enthalpy of Vaporization: 58.94 kJ/mol; (21)Boiling Point: 345.4 °C at 760 mmHg; (22)Vapour Pressure: 6.18E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Brc1cnc(N)nc1C
(2)InChI: InChI=1/C5H6BrN3/c1-3-4(6)2-8-5(7)9-3/h2H,1H3,(H2,7,8,9)
(3)InChIKey: LPQVTZJEIXYDQA-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C5H6BrN3/c1-3-4(6)2-8-5(7)9-3/h2H,1H3,(H2,7,8,9)
(5)Std. InChIKey: LPQVTZJEIXYDQA-UHFFFAOYSA-N