4-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide;5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;N'-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide;methane

C67H89BClF9N20O8 — CID 157162946

About 4-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide;5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;N'-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide;methane

4-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide;5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;N'-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide;methane (PubChem CID 157162946) has the molecular formula C67H89BClF9N20O8 and a molecular weight of 1519.83 g/mol. Its IUPAC name is 4-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide;5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;N'-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide;methane.

Molecular Properties

• Compound Name: 4-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide;5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;N'-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide;methane
• PubChem CID: 157162946
• Molecular Formula: C67H89BClF9N20O8
• Molecular Weight: 1519.83 g/mol
• Exact Mass: 1518.68
• IUPAC Name: 4-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide;5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;N'-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide;methane
• SMILES: C.CN(C)/C=N/c1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)cc(N3CCOCC3)n2)cn1.CN(C)/C=N/c1cc(C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)cn1.Clc1nc(N2CCOCC2)cc(N2CCOCC2)n1.Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)cc(N3CCOCC3)n2)cn1
• InChI: InChI=1S/C21H26F3N7O2.C18H21F3N6O2.C15H21BF3N3O2.C12H17ClN4O2.CH4/c1-29(2)14-26-17-11-16(21(22,23)24)15(13-25-17)20-27-18(30-3-7-32-8-4-30)12-19(28-20)31-5-9-33-10-6-31;19-18(20,21)13-9-14(22)23-11-12(13)17-24-15(26-1-5-28-6-2-26)10-16(25-17)27-3-7-29-8-4-27;1-13(2)14(3,4)24-16(23-13)11-8-20-12(21-9-22(5)6)7-10(11)15(17,18)19;13-12-14-10(16-1-5-18-6-2-16)9-11(15-12)17-3-7-19-8-4-17;/h11-14H,3-10H2,1-2H3;9-11H,1-8H2,(H2,22,23);7-9H,1-6H3;9H,1-8H2;1H4/b26-14+;;21-9+
• InChIKey: AMORKONCUXGJBE-VRKXFIPLSA-N
• XLogP: 8.33
• TPSA: 266.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 13
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1519.83
LogP ≤ 5	8.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide;5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;N'-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide;methane?

The IUPAC name of 4-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide;5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;N'-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide;methane (CID 157162946) is 4-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide;5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;N'-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide;methane.

What is the SMILES notation for 4-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide;5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;N'-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide;methane?

The canonical SMILES for 4-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide;5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;N'-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide;methane is C.CN(C)/C=N/c1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)cc(N3CCOCC3)n2)cn1.CN(C)/C=N/c1cc(C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)cn1.Clc1nc(N2CCOCC2)cc(N2CCOCC2)n1.Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)cc(N3CCOCC3)n2)cn1.

What is the InChIKey of 4-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide;5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;N'-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide;methane?

The InChIKey is AMORKONCUXGJBE-VRKXFIPLSA-N. The full InChI is InChI=1S/C21H26F3N7O2.C18H21F3N6O2.C15H21BF3N3O2.C12H17ClN4O2.CH4/c1-29(2)14-26-17-11-16(21(22,23)24)15(13-25-17)20-27-18(30-3-7-32-8-4-30)12-19(28-20)31-5-9-33-10-6-31;19-18(20,21)13-9-14(22)23-11-12(13)17-24-15(26-1-5-28-6-2-26)10-16(25-17)27-3-7-29-8-4-27;1-13(2)14(3,4)24-16(23-13)11-8-20-12(21-9-22(5)6)7-10(11)15(17,18)19;13-12-14-10(16-1-5-18-6-2-16)9-11(15-12)17-3-7-19-8-4-17;/h11-14H,3-10H2,1-2H3;9-11H,1-8H2,(H2,22,23);7-9H,1-6H3;9H,1-8H2;1H4/b26-14+;;21-9+;;.

What are the key properties of 4-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide;5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;N'-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide;methane?

4-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide;5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;N'-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide;methane has a molecular weight of 1519.83 g/mol, XLogP of 8.33, 13 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)morpholine;N,N-dimethyl-N'-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]methanimidamide;5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;N'-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylmethanimidamide;methane is sourced from PubChem (CID 157162946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).