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

C57H71BCl2F6N14O7 — CID 161472996

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

1-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]propan-2-one;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine;1-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]propan-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 161472996) has the molecular formula C57H71BCl2F6N14O7 and a molecular weight of 1259.99 g/mol. Its IUPAC name is 1-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]propan-2-one;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine;1-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]propan-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 1-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]propan-2-one;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine;1-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]propan-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 161472996
• Molecular Formula: C57H71BCl2F6N14O7
• Molecular Weight: 1259.99 g/mol
• Exact Mass: 1258.50
• IUPAC Name: 1-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]propan-2-one;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine;1-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]propan-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
• SMILES: CC(=O)CC1(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.CC(=O)CC1(c2cc(Cl)nc(N3CCOCC3)n2)CC1.CC1(C)OB(c2cnc(N)cc2C(F)(F)F)OC1(C)C.NC1(c2cc(Cl)nc(N3CCOCC3)n2)CC1
• InChI: InChI=1S/C20H22F3N5O2.C14H18ClN3O2.C12H16BF3N2O2.C11H15ClN4O/c1-12(29)10-19(2-3-19)16-9-15(26-18(27-16)28-4-6-30-7-5-28)13-11-25-17(24)8-14(13)20(21,22)23;1-10(19)9-14(2-3-14)11-8-12(15)17-13(16-11)18-4-6-20-7-5-18;1-10(2)11(3,4)20-13(19-10)8-6-18-9(17)5-7(8)12(14,15)16;12-9-7-8(11(13)1-2-11)14-10(15-9)16-3-5-17-6-4-16/h8-9,11H,2-7,10H2,1H3,(H2,24,25);8H,2-7,9H2,1H3;5-6H,1-4H3,(H2,17,18);7H,1-6,13H2
• InChIKey: WDIJGCXBFKGPBD-UHFFFAOYSA-N
• XLogP: 7.86
• TPSA: 271.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1259.99
LogP ≤ 5	7.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]propan-2-one;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine;1-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]propan-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 161472996) is 1-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]propan-2-one;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine;1-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]propan-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-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]propan-2-one;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine;1-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]propan-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for 1-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]propan-2-one;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine;1-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]propan-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine is CC(=O)CC1(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.CC(=O)CC1(c2cc(Cl)nc(N3CCOCC3)n2)CC1.CC1(C)OB(c2cnc(N)cc2C(F)(F)F)OC1(C)C.NC1(c2cc(Cl)nc(N3CCOCC3)n2)CC1.

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

The InChIKey is WDIJGCXBFKGPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O2.C14H18ClN3O2.C12H16BF3N2O2.C11H15ClN4O/c1-12(29)10-19(2-3-19)16-9-15(26-18(27-16)28-4-6-30-7-5-28)13-11-25-17(24)8-14(13)20(21,22)23;1-10(19)9-14(2-3-14)11-8-12(15)17-13(16-11)18-4-6-20-7-5-18;1-10(2)11(3,4)20-13(19-10)8-6-18-9(17)5-7(8)12(14,15)16;12-9-7-8(11(13)1-2-11)14-10(15-9)16-3-5-17-6-4-16/h8-9,11H,2-7,10H2,1H3,(H2,24,25);8H,2-7,9H2,1H3;5-6H,1-4H3,(H2,17,18);7H,1-6,13H2.

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

1-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]propan-2-one;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine;1-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]propan-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 1259.99 g/mol, XLogP of 7.86, 12 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]propan-2-one;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine;1-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]propan-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 161472996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).