The systematic name of 2,4-Dichloro-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepine is 2,4-dichloro-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine. With the CAS registry number 781612-89-3, it is also named as 5H-Pyrimido[4,5-d]azepine,2,4-dichloro-6,7,8,9-tetrahydro-. In addition, its molecular formula is C₈H₉Cl₂N₃ and its molecular weight is 218.08.

The other characteristics of 2,4-Dichloro-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepine can be summarized as: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 37.81 Å²; (7)Index of Refraction: 1.566; (8)Molar Refractivity: 52.35 cm³; (9)Molar Volume: 160.3 cm³; (10)Polarizability: 20.75×10^-24cm³; (11)Surface Tension: 49.9 dyne/cm; (12)Density: 1.359 g/cm³; (13)Flash Point: 179.2 °C; (14)Enthalpy of Vaporization: 61.98 kJ/mol; (15)Boiling Point: 372.6 °C at 760 mmHg; (16)Vapour Pressure: 9.49E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: C1CNCCc2c1c(nc(n2)Cl)Cl
(2)InChI: InChI=1/C8H9Cl2N3/c9-7-5-1-3-11-4-2-6(5)12-8(10)13-7/h11H,1-4H2
(3)InChIKey: RBVKAUNFZLPMEO-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C8H9Cl2N3/c9-7-5-1-3-11-4-2-6(5)12-8(10)13-7/h11H,1-4H2
(5)Std. InChIKey: RBVKAUNFZLPMEO-UHFFFAOYSA-N