tert-butyl 2-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]acetate;4-[4-chloro-6-[1-(methylsulfonylmethyl)cyclopropyl]pyrimidin-2-yl]morpholine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylic acid;N-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]-N-methylmethanesulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine

C78H106BCl5F3N19O15S2 — CID 160901436

About tert-butyl 2-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]acetate;4-[4-chloro-6-[1-(methylsulfonylmethyl)cyclopropyl]pyrimidin-2-yl]morpholine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylic acid;N-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]-N-methylmethanesulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine

tert-butyl 2-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]acetate;4-[4-chloro-6-[1-(methylsulfonylmethyl)cyclopropyl]pyrimidin-2-yl]morpholine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylic acid;N-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]-N-methylmethanesulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 160901436) has the molecular formula C78H106BCl5F3N19O15S2 and a molecular weight of 1859.03 g/mol. Its IUPAC name is tert-butyl 2-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]acetate;4-[4-chloro-6-[1-(methylsulfonylmethyl)cyclopropyl]pyrimidin-2-yl]morpholine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylic acid;N-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]-N-methylmethanesulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: tert-butyl 2-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]acetate;4-[4-chloro-6-[1-(methylsulfonylmethyl)cyclopropyl]pyrimidin-2-yl]morpholine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylic acid;N-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]-N-methylmethanesulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 160901436
• Molecular Formula: C78H106BCl5F3N19O15S2
• Molecular Weight: 1859.03 g/mol
• Exact Mass: 1855.60
• IUPAC Name: tert-butyl 2-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]acetate;4-[4-chloro-6-[1-(methylsulfonylmethyl)cyclopropyl]pyrimidin-2-yl]morpholine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylic acid;N-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]-N-methylmethanesulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
• SMILES: CC(C)(C)OC(=O)CC1(c2cc(Cl)nc(N3CCOCC3)n2)CC1.CC1(C)OB(c2cnc(N)cc2C(F)(F)F)OC1(C)C.CN(C1(c2cc(Cl)nc(N3CCOCC3)n2)CC1)S(C)(=O)=O.CS(=O)(=O)CC1(c2cc(Cl)nc(N3CCOCC3)n2)CC1.NC1(c2cc(Cl)nc(N3CCOCC3)n2)CC1.O=C(O)C1(c2cc(Cl)nc(N3CCOCC3)n2)CC1
• InChI: InChI=1S/C17H24ClN3O3.C13H19ClN4O3S.C13H18ClN3O3S.C12H16BF3N2O2.C12H14ClN3O3.C11H15ClN4O/c1-16(2,3)24-14(22)11-17(4-5-17)12-10-13(18)20-15(19-12)21-6-8-23-9-7-21;1-17(22(2,19)20)13(3-4-13)10-9-11(14)16-12(15-10)18-5-7-21-8-6-18;1-21(18,19)9-13(2-3-13)10-8-11(14)16-12(15-10)17-4-6-20-7-5-17;1-10(2)11(3,4)20-13(19-10)8-6-18-9(17)5-7(8)12(14,15)16;13-9-7-8(12(1-2-12)10(17)18)14-11(15-9)16-3-5-19-6-4-16;12-9-7-8(11(13)1-2-11)14-10(15-9)16-3-5-17-6-4-16/h10H,4-9,11H2,1-3H3;9H,3-8H2,1-2H3;8H,2-7,9H2,1H3;5-6H,1-4H3,(H2,17,18);7H,1-6H2,(H,17,18);7H,1-6,13H2
• InChIKey: SPOCBJFQWQBCDI-UHFFFAOYSA-N
• XLogP: 8.60
• TPSA: 409.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 18
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1859.03
LogP ≤ 5	8.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]acetate;4-[4-chloro-6-[1-(methylsulfonylmethyl)cyclopropyl]pyrimidin-2-yl]morpholine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylic acid;N-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]-N-methylmethanesulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of tert-butyl 2-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]acetate;4-[4-chloro-6-[1-(methylsulfonylmethyl)cyclopropyl]pyrimidin-2-yl]morpholine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylic acid;N-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]-N-methylmethanesulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 160901436) is tert-butyl 2-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]acetate;4-[4-chloro-6-[1-(methylsulfonylmethyl)cyclopropyl]pyrimidin-2-yl]morpholine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylic acid;N-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]-N-methylmethanesulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for tert-butyl 2-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]acetate;4-[4-chloro-6-[1-(methylsulfonylmethyl)cyclopropyl]pyrimidin-2-yl]morpholine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylic acid;N-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]-N-methylmethanesulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for tert-butyl 2-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]acetate;4-[4-chloro-6-[1-(methylsulfonylmethyl)cyclopropyl]pyrimidin-2-yl]morpholine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylic acid;N-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]-N-methylmethanesulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine is CC(C)(C)OC(=O)CC1(c2cc(Cl)nc(N3CCOCC3)n2)CC1.CC1(C)OB(c2cnc(N)cc2C(F)(F)F)OC1(C)C.CN(C1(c2cc(Cl)nc(N3CCOCC3)n2)CC1)S(C)(=O)=O.CS(=O)(=O)CC1(c2cc(Cl)nc(N3CCOCC3)n2)CC1.NC1(c2cc(Cl)nc(N3CCOCC3)n2)CC1.O=C(O)C1(c2cc(Cl)nc(N3CCOCC3)n2)CC1.

What is the InChIKey of tert-butyl 2-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]acetate;4-[4-chloro-6-[1-(methylsulfonylmethyl)cyclopropyl]pyrimidin-2-yl]morpholine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylic acid;N-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]-N-methylmethanesulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?

The InChIKey is SPOCBJFQWQBCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3.C13H19ClN4O3S.C13H18ClN3O3S.C12H16BF3N2O2.C12H14ClN3O3.C11H15ClN4O/c1-16(2,3)24-14(22)11-17(4-5-17)12-10-13(18)20-15(19-12)21-6-8-23-9-7-21;1-17(22(2,19)20)13(3-4-13)10-9-11(14)16-12(15-10)18-5-7-21-8-6-18;1-21(18,19)9-13(2-3-13)10-8-11(14)16-12(15-10)17-4-6-20-7-5-17;1-10(2)11(3,4)20-13(19-10)8-6-18-9(17)5-7(8)12(14,15)16;13-9-7-8(12(1-2-12)10(17)18)14-11(15-9)16-3-5-19-6-4-16;12-9-7-8(11(13)1-2-11)14-10(15-9)16-3-5-17-6-4-16/h10H,4-9,11H2,1-3H3;9H,3-8H2,1-2H3;8H,2-7,9H2,1H3;5-6H,1-4H3,(H2,17,18);7H,1-6H2,(H,17,18);7H,1-6,13H2.

What are the key properties of tert-butyl 2-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]acetate;4-[4-chloro-6-[1-(methylsulfonylmethyl)cyclopropyl]pyrimidin-2-yl]morpholine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylic acid;N-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]-N-methylmethanesulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine?

tert-butyl 2-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]acetate;4-[4-chloro-6-[1-(methylsulfonylmethyl)cyclopropyl]pyrimidin-2-yl]morpholine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylic acid;N-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]-N-methylmethanesulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 1859.03 g/mol, XLogP of 8.60, 18 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]acetate;4-[4-chloro-6-[1-(methylsulfonylmethyl)cyclopropyl]pyrimidin-2-yl]morpholine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropan-1-amine;1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropane-1-carboxylic acid;N-[1-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]-N-methylmethanesulfonamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 160901436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).