tert-butyl N-[5-bromo-4-(difluoromethyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl [[4-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]boranyl]formate;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine

C64H89B2BrClF6N17O14 — CID 157079743

About tert-butyl N-[5-bromo-4-(difluoromethyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl [[4-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]boranyl]formate;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine

tert-butyl N-[5-bromo-4-(difluoromethyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl [[4-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]boranyl]formate;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine (PubChem CID 157079743) has the molecular formula C64H89B2BrClF6N17O14 and a molecular weight of 1571.49 g/mol. Its IUPAC name is tert-butyl N-[5-bromo-4-(difluoromethyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl [[4-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]boranyl]formate;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: tert-butyl N-[5-bromo-4-(difluoromethyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl [[4-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]boranyl]formate;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine
• PubChem CID: 157079743
• Molecular Formula: C64H89B2BrClF6N17O14
• Molecular Weight: 1571.49 g/mol
• Exact Mass: 1569.57
• IUPAC Name: tert-butyl N-[5-bromo-4-(difluoromethyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl [[4-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]boranyl]formate;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine
• SMILES: CC(C)(C)OC(=O)B(C(=O)OC(C)(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)c(C(F)F)n1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(Br)c(C(F)F)n1.Clc1nc(N2CCOCC2)nc(N2CCOCC2)n1.Nc1cc(C(F)F)c(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
• InChI: InChI=1S/C21H32B2F2N2O6.C17H21F2N7O2.C15H20BrF2N3O4.C11H16ClN5O2/c1-18(2,3)30-16(28)22(17(29)31-19(4,5)6)15-26-11-12(13(27-15)14(24)25)23-32-20(7,8)21(9,10)33-23;18-14(19)11-9-13(20)21-10-12(11)15-22-16(25-1-5-27-6-2-25)24-17(23-15)26-3-7-28-8-4-26;1-14(2,3)24-12(22)21(13(23)25-15(4,5)6)11-19-7-8(16)9(20-11)10(17)18;12-9-13-10(16-1-5-18-6-2-16)15-11(14-9)17-3-7-19-8-4-17/h11,14H,1-10H3;9-10,14H,1-8H2,(H2,20,21);7,10H,1-6H3;1-8H2
• InChIKey: ADJWUIGJQJEAHA-UHFFFAOYSA-N
• XLogP: 9.63
• TPSA: 344.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 13
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1571.49
LogP ≤ 5	9.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-bromo-4-(difluoromethyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl [[4-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]boranyl]formate;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine?

The IUPAC name of tert-butyl N-[5-bromo-4-(difluoromethyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl [[4-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]boranyl]formate;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine (CID 157079743) is tert-butyl N-[5-bromo-4-(difluoromethyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl [[4-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]boranyl]formate;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine.

What is the SMILES notation for tert-butyl N-[5-bromo-4-(difluoromethyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl [[4-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]boranyl]formate;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine?

The canonical SMILES for tert-butyl N-[5-bromo-4-(difluoromethyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl [[4-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]boranyl]formate;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine is CC(C)(C)OC(=O)B(C(=O)OC(C)(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)c(C(F)F)n1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(Br)c(C(F)F)n1.Clc1nc(N2CCOCC2)nc(N2CCOCC2)n1.Nc1cc(C(F)F)c(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1.

What is the InChIKey of tert-butyl N-[5-bromo-4-(difluoromethyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl [[4-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]boranyl]formate;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine?

The InChIKey is ADJWUIGJQJEAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32B2F2N2O6.C17H21F2N7O2.C15H20BrF2N3O4.C11H16ClN5O2/c1-18(2,3)30-16(28)22(17(29)31-19(4,5)6)15-26-11-12(13(27-15)14(24)25)23-32-20(7,8)21(9,10)33-23;18-14(19)11-9-13(20)21-10-12(11)15-22-16(25-1-5-27-6-2-25)24-17(23-15)26-3-7-28-8-4-26;1-14(2,3)24-12(22)21(13(23)25-15(4,5)6)11-19-7-8(16)9(20-11)10(17)18;12-9-13-10(16-1-5-18-6-2-16)15-11(14-9)17-3-7-19-8-4-17/h11,14H,1-10H3;9-10,14H,1-8H2,(H2,20,21);7,10H,1-6H3;1-8H2.

What are the key properties of tert-butyl N-[5-bromo-4-(difluoromethyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl [[4-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]boranyl]formate;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine?

tert-butyl N-[5-bromo-4-(difluoromethyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl [[4-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]boranyl]formate;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine has a molecular weight of 1571.49 g/mol, XLogP of 9.63, 13 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[5-bromo-4-(difluoromethyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl [[4-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]boranyl]formate;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine is sourced from PubChem (CID 157079743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).