5,7-DIMETHYLPYRIDO[2,3-D]PYRIMIDIN-4(3H)-ONE

The Pyrido[2, 3-d]pyrimidin-4(3H)-one, 5, 7-dimethyl-, with the CAS registry number 1913-72-0, is also known as 5, 7-Dimethylpyrido[2, 3-d]pyrimidin-4(3H)-one. This chemical's molecular formula is C₉H₉N₃O and molecular weight is 175.19. What's more, its systematic name is 5, 7-Dimethylpyrido[2, 3-d]pyrimidin-4(1H)-one. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should avoid contact strong oxidant and incompatible material.

Physical properties about Pyrido[2, 3-d]pyrimidin-4(3H)-one, 5, 7-dimethyl- are: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.17; (4)ACD/LogD (pH 7.4): 0.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.36; (8)ACD/KOC (pH 7.4): 30.44; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 45.56 Å²; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 48.56 cm³; (15)Molar Volume: 130 cm³; (16)Polarizability: 19.25×10^-24 cm³; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 172.6 °C; (20)Enthalpy of Vaporization: 60.76 kJ/mol; (21)Boiling Point: 361.8 °C at 760 mmHg; (22)Vapour Pressure: 2.02E-05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. In addition, it may cause damage to health. During using it, you should wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2\N=C/Nc1nc(cc(c12)C)C
(2) InChI: InChI=1/C9H9N3O/c1-5-3-6(2)12-8-7(5)9(13)11-4-10-8/h3-4H,1-2H3,(H,10,11,12,13)
(3) InChIKey: HWGAGILTAOQBPD-UHFFFAOYAD