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Basic Information
CAS No.: 21419-05-6
Name: 5-phenyl-4-pyrimidinamine(SALTDATA: FREE)
Article Data: 4
Molecular Structure:
Molecular Structure of 21419-05-6 (5-phenyl-4-pyrimidinamine(SALTDATA: FREE))
Formula: C10H9N3
Molecular Weight: 171.202
Synonyms: 4-pyrimidinamine, 5-phenyl-; 5-Phenylpyrimidin-4-amine
Density: 1.193g/cm3
Boiling Point: 348.1 °C at 760 mmHg
Flash Point: 191.3 °C
PSA: 51.80000
LogP: 2.30700
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Specification

The 5-Phenylpyrimidin-4-amine, with CAS registry number 21419-05-6, has the systematic name of 5-phenylpyrimidin-4-amine. Besides this, it is also called 4-pyrimidinamine, 5-phenyl-. Its molecular weight is 171.1986. And the chemical formula of this chemical is C10H9N3.

Physical properties of 5-Phenylpyrimidin-4-amine: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 5.65; (6)ACD/BCF (pH 7.4): 11.29; (7)ACD/KOC (pH 5.5): 98.31; (8)ACD/KOC (pH 7.4): 196.57; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.02 Å2; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 51.26 cm3; (15)Molar Volume: 143.4 cm3; (16)Polarizability: 20.32×10-24cm3; (17)Surface Tension: 57.3 dyne/cm; (18)Density: 1.193 g/cm3; (19)Flash Point: 191.3 °C; (20)Enthalpy of Vaporization: 59.25 kJ/mol; (21)Boiling Point: 348.1 °C at 760 mmHg; (22)Vapour Pressure: 5.13E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 5-phenyl-pyrimidine. This reaction will need reagents KNH2, KMnO4 and solvent liquid ammonia. The reaction time is 10 min. The yield is about 70%.

Uses of 5-Phenylpyrimidin-4-amine: it can be used to produce 6-Amino-5-phenylpyrimidine 1-Oxide. This reaction will need reagent H2O2 and solvent acetic acid. The yield is about 43%.

You can still convert the following datas into molecular structure:
(1)SMILES: n2cc(c1ccccc1)c(nc2)N
(2)InChI: InChI=1/C10H9N3/c11-10-9(6-12-7-13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,12,13)
(3)InChIKey: RIQAUNNLIXGOAK-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C10H9N3/c11-10-9(6-12-7-13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,12,13)
(5)Std. InChIKey: RIQAUNNLIXGOAK-UHFFFAOYSA-N