4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyridin-2-amine;4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4-morpholin-4-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine

C69H85F8N27O7S — CID 158059249

About 4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyridin-2-amine;4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4-morpholin-4-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine

4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyridin-2-amine;4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4-morpholin-4-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine (PubChem CID 158059249) has the molecular formula C69H85F8N27O7S and a molecular weight of 1588.67 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyridin-2-amine;4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4-morpholin-4-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyridin-2-amine;4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4-morpholin-4-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine
• PubChem CID: 158059249
• Molecular Formula: C69H85F8N27O7S
• Molecular Weight: 1588.67 g/mol
• Exact Mass: 1587.67
• IUPAC Name: 4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyridin-2-amine;4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4-morpholin-4-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine
• SMILES: Nc1cc(C(F)F)c(-c2nc(N3CCOCC3)cc(N3CCOCC3)n2)cn1.Nc1cc(C(F)F)c(-c2nc(N3CCOCC3)nc(N3CCSCC3)n2)cn1.Nc1ncc(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c(C(F)F)n1.Nc1ncc(-c2nc(N3CCOCC3)cc(N3CCOCC3)n2)c(C(F)F)n1
• InChI: InChI=1S/C18H22F2N6O2.2C17H21F2N7O2.C17H21F2N7OS/c19-17(20)12-9-14(21)22-11-13(12)18-23-15(25-1-5-27-6-2-25)10-16(24-18)26-3-7-28-8-4-26;18-15(19)14-11(10-21-17(20)24-14)16-22-12(25-1-5-27-6-2-25)9-13(23-16)26-3-7-28-8-4-26;18-15(19)14-11(10-21-16(20)24-14)12-9-13(25-1-5-27-6-2-25)23-17(22-12)26-3-7-28-8-4-26;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/h9-11,17H,1-8H2,(H2,21,22);2*9-10,15H,1-8H2,(H2,20,21,24);9-10,14H,1-8H2,(H2,20,21)
• InChIKey: FKLGQQGAXDLJQI-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 387.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 16
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1588.67
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyridin-2-amine;4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4-morpholin-4-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine?

The IUPAC name of 4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyridin-2-amine;4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4-morpholin-4-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine (CID 158059249) is 4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyridin-2-amine;4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4-morpholin-4-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine.

What is the SMILES notation for 4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyridin-2-amine;4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4-morpholin-4-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine?

The canonical SMILES for 4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyridin-2-amine;4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4-morpholin-4-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine is Nc1cc(C(F)F)c(-c2nc(N3CCOCC3)cc(N3CCOCC3)n2)cn1.Nc1cc(C(F)F)c(-c2nc(N3CCOCC3)nc(N3CCSCC3)n2)cn1.Nc1ncc(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c(C(F)F)n1.Nc1ncc(-c2nc(N3CCOCC3)cc(N3CCOCC3)n2)c(C(F)F)n1.

What is the InChIKey of 4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyridin-2-amine;4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4-morpholin-4-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine?

The InChIKey is FKLGQQGAXDLJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N6O2.2C17H21F2N7O2.C17H21F2N7OS/c19-17(20)12-9-14(21)22-11-13(12)18-23-15(25-1-5-27-6-2-25)10-16(24-18)26-3-7-28-8-4-26;18-15(19)14-11(10-21-17(20)24-14)16-22-12(25-1-5-27-6-2-25)9-13(23-16)26-3-7-28-8-4-26;18-15(19)14-11(10-21-16(20)24-14)12-9-13(25-1-5-27-6-2-25)23-17(22-12)26-3-7-28-8-4-26;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/h9-11,17H,1-8H2,(H2,21,22);2*9-10,15H,1-8H2,(H2,20,21,24);9-10,14H,1-8H2,(H2,20,21).

What are the key properties of 4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyridin-2-amine;4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4-morpholin-4-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine?

4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyridin-2-amine;4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4-morpholin-4-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine has a molecular weight of 1588.67 g/mol, XLogP of 5.83, 16 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyridin-2-amine;4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4-morpholin-4-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine is sourced from PubChem (CID 158059249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).