2-[[2-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-yl]amino]butan-1-ol;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-2-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-4-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidin-4-amine

C95H99BrF3N25O6 — CID 167615009

About 2-[[2-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-yl]amino]butan-1-ol;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-2-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-4-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidin-4-amine

2-[[2-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-yl]amino]butan-1-ol;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-2-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-4-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidin-4-amine (PubChem CID 167615009) has the molecular formula C95H99BrF3N25O6 and a molecular weight of 1823.90 g/mol. Its IUPAC name is 2-[[2-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-yl]amino]butan-1-ol;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-2-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-4-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[[2-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-yl]amino]butan-1-ol;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-2-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-4-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidin-4-amine
• PubChem CID: 167615009
• Molecular Formula: C95H99BrF3N25O6
• Molecular Weight: 1823.90 g/mol
• Exact Mass: 1821.73
• IUPAC Name: 2-[[2-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-yl]amino]butan-1-ol;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-2-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-4-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidin-4-amine
• SMILES: CCC(CO)Nc1nc(N)ncc1Oc1cc(Br)ncc1C(C)C.Cc1ncc(Oc2cc(C#Cc3cccc4cccnc34)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C#Cc3ccccn3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C#Cc3ccncc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(NCC(F)(F)F)ncc2C(C)C)c(N)n1
• InChI: InChI=1S/C24H21N5O.2C20H19N5O.C16H22BrN5O2.C15H18F3N5O/c1-15(2)20-13-28-19(12-21(20)30-22-14-27-16(3)29-24(22)25)10-9-18-7-4-6-17-8-5-11-26-23(17)18;1-13(2)17-11-24-16(5-4-15-6-8-22-9-7-15)10-18(17)26-19-12-23-14(3)25-20(19)21;1-13(2)17-11-24-16(8-7-15-6-4-5-9-22-15)10-18(17)26-19-12-23-14(3)25-20(19)21;1-4-10(8-23)21-15-13(7-20-16(18)22-15)24-12-5-14(17)19-6-11(12)9(2)3;1-8(2)10-5-21-13(22-7-15(16,17)18)4-11(10)24-12-6-20-9(3)23-14(12)19/h4-8,11-15H,1-3H3,(H2,25,27,29);6-13H,1-3H3,(H2,21,23,25);4-6,9-13H,1-3H3,(H2,21,23,25);5-7,9-10,23H,4,8H2,1-3H3,(H3,18,20,21,22);4-6,8H,7H2,1-3H3,(H,21,22)(H2,19,20,23)
• InChIKey: LPRPBCFYCVVFRZ-UHFFFAOYSA-N
• XLogP: 18.54
• TPSA: 452.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1823.90
LogP ≤ 5	18.54
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-yl]amino]butan-1-ol;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-2-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-4-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidin-4-amine?

The IUPAC name of 2-[[2-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-yl]amino]butan-1-ol;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-2-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-4-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidin-4-amine (CID 167615009) is 2-[[2-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-yl]amino]butan-1-ol;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-2-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-4-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidin-4-amine.

What is the SMILES notation for 2-[[2-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-yl]amino]butan-1-ol;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-2-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-4-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidin-4-amine?

The canonical SMILES for 2-[[2-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-yl]amino]butan-1-ol;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-2-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-4-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidin-4-amine is CCC(CO)Nc1nc(N)ncc1Oc1cc(Br)ncc1C(C)C.Cc1ncc(Oc2cc(C#Cc3cccc4cccnc34)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C#Cc3ccccn3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C#Cc3ccncc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(NCC(F)(F)F)ncc2C(C)C)c(N)n1.

What is the InChIKey of 2-[[2-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-yl]amino]butan-1-ol;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-2-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-4-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidin-4-amine?

The InChIKey is LPRPBCFYCVVFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O.2C20H19N5O.C16H22BrN5O2.C15H18F3N5O/c1-15(2)20-13-28-19(12-21(20)30-22-14-27-16(3)29-24(22)25)10-9-18-7-4-6-17-8-5-11-26-23(17)18;1-13(2)17-11-24-16(5-4-15-6-8-22-9-7-15)10-18(17)26-19-12-23-14(3)25-20(19)21;1-13(2)17-11-24-16(8-7-15-6-4-5-9-22-15)10-18(17)26-19-12-23-14(3)25-20(19)21;1-4-10(8-23)21-15-13(7-20-16(18)22-15)24-12-5-14(17)19-6-11(12)9(2)3;1-8(2)10-5-21-13(22-7-15(16,17)18)4-11(10)24-12-6-20-9(3)23-14(12)19/h4-8,11-15H,1-3H3,(H2,25,27,29);6-13H,1-3H3,(H2,21,23,25);4-6,9-13H,1-3H3,(H2,21,23,25);5-7,9-10,23H,4,8H2,1-3H3,(H3,18,20,21,22);4-6,8H,7H2,1-3H3,(H,21,22)(H2,19,20,23).

What are the key properties of 2-[[2-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-yl]amino]butan-1-ol;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-2-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-4-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidin-4-amine?

2-[[2-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-yl]amino]butan-1-ol;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-2-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-4-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidin-4-amine has a molecular weight of 1823.90 g/mol, XLogP of 18.54, 21 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-yl]amino]butan-1-ol;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-2-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-pyridin-4-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidin-4-amine is sourced from PubChem (CID 167615009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).