1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-3-phenylimidazolidin-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine

C52H56BClF6N14O6 — CID 161198570

About 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-3-phenylimidazolidin-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine

1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-3-phenylimidazolidin-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 161198570) has the molecular formula C52H56BClF6N14O6 and a molecular weight of 1133.36 g/mol. Its IUPAC name is 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-3-phenylimidazolidin-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-3-phenylimidazolidin-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 161198570
• Molecular Formula: C52H56BClF6N14O6
• Molecular Weight: 1133.36 g/mol
• Exact Mass: 1132.42
• IUPAC Name: 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-3-phenylimidazolidin-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
• SMILES: CC1(C)OB(c2cnc(N)cc2C(F)(F)F)OC1(C)C.Nc1cc(C(F)(F)F)c(-c2cc(N3CCN(c4ccccc4)C3=O)nc(N3CCOCC3)n2)cn1.O=C1N(c2ccccc2)CCN1c1cc(Cl)nc(N2CCOCC2)n1
• InChI: InChI=1S/C23H22F3N7O2.C17H18ClN5O2.C12H16BF3N2O2/c24-23(25,26)17-12-19(27)28-14-16(17)18-13-20(30-21(29-18)31-8-10-35-11-9-31)33-7-6-32(22(33)34)15-4-2-1-3-5-15;18-14-12-15(20-16(19-14)21-8-10-25-11-9-21)23-7-6-22(17(23)24)13-4-2-1-3-5-13;1-10(2)11(3,4)20-13(19-10)8-6-18-9(17)5-7(8)12(14,15)16/h1-5,12-14H,6-11H2,(H2,27,28);1-5,12H,6-11H2;5-6H,1-4H3,(H2,17,18)
• InChIKey: UURGECIRYMELPA-UHFFFAOYSA-N
• XLogP: 7.82
• TPSA: 219.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1133.36
LogP ≤ 5	7.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-3-phenylimidazolidin-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-3-phenylimidazolidin-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 161198570) is 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-3-phenylimidazolidin-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-3-phenylimidazolidin-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-3-phenylimidazolidin-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine is CC1(C)OB(c2cnc(N)cc2C(F)(F)F)OC1(C)C.Nc1cc(C(F)(F)F)c(-c2cc(N3CCN(c4ccccc4)C3=O)nc(N3CCOCC3)n2)cn1.O=C1N(c2ccccc2)CCN1c1cc(Cl)nc(N2CCOCC2)n1.

What is the InChIKey of 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-3-phenylimidazolidin-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?

The InChIKey is UURGECIRYMELPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N7O2.C17H18ClN5O2.C12H16BF3N2O2/c24-23(25,26)17-12-19(27)28-14-16(17)18-13-20(30-21(29-18)31-8-10-35-11-9-31)33-7-6-32(22(33)34)15-4-2-1-3-5-15;18-14-12-15(20-16(19-14)21-8-10-25-11-9-21)23-7-6-22(17(23)24)13-4-2-1-3-5-13;1-10(2)11(3,4)20-13(19-10)8-6-18-9(17)5-7(8)12(14,15)16/h1-5,12-14H,6-11H2,(H2,27,28);1-5,12H,6-11H2;5-6H,1-4H3,(H2,17,18).

What are the key properties of 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-3-phenylimidazolidin-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?

1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-3-phenylimidazolidin-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 1133.36 g/mol, XLogP of 7.82, 8 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-3-phenylimidazolidin-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 161198570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).