The CAS registry number of 6-(Methyl-phenyl-amino)-1H-pyrimidine-2,4-dione is 19188-55-7. This chemical is also known as 6-[Methyl(phenyl)amino]pyrimidine-2,4(1H,3H)-dione. The molecular formula of it is C11H11N3O2 and molecular weight is 217.2239. Its IUPAC name is called 6-(N-methylanilino)-1H-pyrimidine-2,4-dione.
Physical properties about this chemical are: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.16; (4)ACD/LogD (pH 7.4): -4.34; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.626; (13)Molar Refractivity: 58.93 cm3; (14)Molar Volume: 166.2 cm3; (15)Surface Tension: 54.3 dyne/cm; (16)Density: 1.306 g/cm3; (17)Flash Point: 271.1 °C; (18)Enthalpy of Vaporization: 82.86 kJ/mol; (19)Boiling Point: 524.6 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2NC(/N(c1ccccc1)C)=C\C(=O)N2
(2)InChI: InChI=1/C11H11N3O2/c1-14(8-5-3-2-4-6-8)9-7-10(15)13-11(16)12-9/h2-7H,1H3,(H2,12,13,15,16)
(3)InChIKey: BTOPOMNWWXEVOF-UHFFFAOYAW
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