The N-[[trans-4-[[(4-Amino-6-chloro-2-pyrimidinyl)amino]methyl]cyclohexyl]methyl]-N-[3-[cyclohexyl[(1,1-dimethylethoxy)carbonyl]amino]propyl]carbamic acid 1,1-dimethylethyl ester, with CAS registry number 917022-13-0, belongs to the following product categories: API intermediates. It has the systematic name of tert-butyl N-[[4-[[(4-amino-6-chloro-pyrimidin-2-yl)amino]methyl]cyclohexyl]methyl]-N-[3-[tert-butoxycarbonyl(cyclohexyl)amino]propyl]carbamate. And the chemical formula of this chemical is C₃₁H₅₃ClN₆O₄.

Physical properties of N-[[trans-4-[[(4-Amino-6-chloro-2-pyrimidinyl)amino]methyl]cyclohexyl]methyl]-N-[3-[cyclohexyl[(1,1-dimethylethoxy)carbonyl]amino]propyl]carbamic acid 1,1-dimethylethyl ester: (1)ACD/LogP: 7.80; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 7.796; (4)ACD/LogD (pH 7.4): 7.802; (5)ACD/BCF (pH 5.5): 493573.406; (6)ACD/BCF (pH 7.4): 500957.063; (7)ACD/KOC (pH 5.5): 412113.125; (8)ACD/KOC (pH 7.4): 418278.188; (9)#H bond acceptors: 10; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 122.91 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 166.817 cm³; (15)Molar Volume: 519.49 cm³; (16)Polarizability: 66.131×10^-24cm³; (17)Surface Tension: 52.919 dyne/cm; (18)Enthalpy of Vaporization: 104.706 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(OC(=O)N(C[C@H]1CC[C@@H](CC1)CNc2nc(cc(n2)N)Cl)CCCN(C(=O)OC(C)(C)C)C3CCCCC3)(C)C
(2)InChI: InChI=1/C31H53ClN6O4/c1-30(2,3)41-28(39)37(17-10-18-38(24-11-8-7-9-12-24)29(40)42-31(4,5)6)21-23-15-13-22(14-16-23)20-34-27-35-25(32)19-26(33)36-27/h19,22-24H,7-18,20-21H2,1-6H3,(H3,33,34,35,36)/t22-,23-
(3)InChIKey: YYVPZVDCQPRFOH-YHBQERECBI
(4)Std. InChI: InChI=1S/C31H53ClN6O4/c1-30(2,3)41-28(39)37(17-10-18-38(24-11-8-7-9-12-24)29(40)42-31(4,5)6)21-23-15-13-22(14-16-23)20-34-27-35-25(32)19-26(33)36-27/h19,22-24H,7-18,20-21H2,1-6H3,(H3,33,34,35,36)/t22-,23-
(5)Std. InChIKey: YYVPZVDCQPRFOH-YHBQERECSA-N