2-[[2-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-yl]amino]butan-1-ol;2-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-1-[4-(dimethylamino)phenyl]ethanone;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-[2-[ethyl(methyl)amino]ethyl]pyrimidine-2,4-diamine;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-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidin-4-amine

C91H111Br2F3N26O7 — CID 167557175

About 2-[[2-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-yl]amino]butan-1-ol;2-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-1-[4-(dimethylamino)phenyl]ethanone;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-[2-[ethyl(methyl)amino]ethyl]pyrimidine-2,4-diamine;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-(2,2,2-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-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-1-[4-(dimethylamino)phenyl]ethanone;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-[2-[ethyl(methyl)amino]ethyl]pyrimidine-2,4-diamine;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-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidin-4-amine (PubChem CID 167557175) has the molecular formula C91H111Br2F3N26O7 and a molecular weight of 1897.87 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-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-1-[4-(dimethylamino)phenyl]ethanone;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-[2-[ethyl(methyl)amino]ethyl]pyrimidine-2,4-diamine;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-(2,2,2-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-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-1-[4-(dimethylamino)phenyl]ethanone;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-[2-[ethyl(methyl)amino]ethyl]pyrimidine-2,4-diamine;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-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidin-4-amine
• PubChem CID: 167557175
• Molecular Formula: C91H111Br2F3N26O7
• Molecular Weight: 1897.87 g/mol
• Exact Mass: 1894.74
• IUPAC Name: 2-[[2-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-yl]amino]butan-1-ol;2-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-1-[4-(dimethylamino)phenyl]ethanone;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-[2-[ethyl(methyl)amino]ethyl]pyrimidine-2,4-diamine;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-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidin-4-amine
• SMILES: CCC(CO)Nc1nc(N)ncc1Oc1cc(Br)ncc1C(C)C.CCN(C)CCNc1nc(N)ncc1Oc1cc(Br)ncc1C(C)C.Cc1ncc(Oc2cc(C#Cc3ccncc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(CC(=O)c3ccc(N(C)C)cc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(NCC(F)(F)F)ncc2C(C)C)c(N)n1
• InChI: InChI=1S/C23H27N5O2.C20H19N5O.C17H25BrN6O.C16H22BrN5O2.C15H18F3N5O/c1-14(2)19-12-26-17(10-20(29)16-6-8-18(9-7-16)28(4)5)11-21(19)30-22-13-25-15(3)27-23(22)24;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;1-5-24(4)7-6-20-16-14(10-22-17(19)23-16)25-13-8-15(18)21-9-12(13)11(2)3;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/h6-9,11-14H,10H2,1-5H3,(H2,24,25,27);6-13H,1-3H3,(H2,21,23,25);8-11H,5-7H2,1-4H3,(H3,19,20,22,23);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: DDUVSNZRAYCMMJ-UHFFFAOYSA-N
• XLogP: 18.10
• TPSA: 462.36 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 30
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1897.87
LogP ≤ 5	18.10
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

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-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-1-[4-(dimethylamino)phenyl]ethanone;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-[2-[ethyl(methyl)amino]ethyl]pyrimidine-2,4-diamine;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-(2,2,2-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-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-1-[4-(dimethylamino)phenyl]ethanone;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-[2-[ethyl(methyl)amino]ethyl]pyrimidine-2,4-diamine;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-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidin-4-amine (CID 167557175) is 2-[[2-amino-5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-yl]amino]butan-1-ol;2-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-1-[4-(dimethylamino)phenyl]ethanone;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-[2-[ethyl(methyl)amino]ethyl]pyrimidine-2,4-diamine;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-(2,2,2-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-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-1-[4-(dimethylamino)phenyl]ethanone;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-[2-[ethyl(methyl)amino]ethyl]pyrimidine-2,4-diamine;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-(2,2,2-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-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-1-[4-(dimethylamino)phenyl]ethanone;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-[2-[ethyl(methyl)amino]ethyl]pyrimidine-2,4-diamine;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-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidin-4-amine is CCC(CO)Nc1nc(N)ncc1Oc1cc(Br)ncc1C(C)C.CCN(C)CCNc1nc(N)ncc1Oc1cc(Br)ncc1C(C)C.Cc1ncc(Oc2cc(C#Cc3ccncc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(CC(=O)c3ccc(N(C)C)cc3)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-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-1-[4-(dimethylamino)phenyl]ethanone;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-[2-[ethyl(methyl)amino]ethyl]pyrimidine-2,4-diamine;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-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidin-4-amine?

The InChIKey is DDUVSNZRAYCMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2.C20H19N5O.C17H25BrN6O.C16H22BrN5O2.C15H18F3N5O/c1-14(2)19-12-26-17(10-20(29)16-6-8-18(9-7-16)28(4)5)11-21(19)30-22-13-25-15(3)27-23(22)24;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;1-5-24(4)7-6-20-16-14(10-22-17(19)23-16)25-13-8-15(18)21-9-12(13)11(2)3;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/h6-9,11-14H,10H2,1-5H3,(H2,24,25,27);6-13H,1-3H3,(H2,21,23,25);8-11H,5-7H2,1-4H3,(H3,19,20,22,23);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-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-1-[4-(dimethylamino)phenyl]ethanone;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-[2-[ethyl(methyl)amino]ethyl]pyrimidine-2,4-diamine;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-(2,2,2-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-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-1-[4-(dimethylamino)phenyl]ethanone;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-[2-[ethyl(methyl)amino]ethyl]pyrimidine-2,4-diamine;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-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidin-4-amine has a molecular weight of 1897.87 g/mol, XLogP of 18.10, 30 rotatable bonds, 9 hydrogen bond donors, and 33 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-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-1-[4-(dimethylamino)phenyl]ethanone;5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-4-N-[2-[ethyl(methyl)amino]ethyl]pyrimidine-2,4-diamine;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-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidin-4-amine is sourced from PubChem (CID 167557175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).