5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine;5-[(5-ethyl-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-methoxy-5-(2-phenylethynyl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-prop-1-en-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine

C61H64BrF3N16O7 — CID 157172904

About 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine;5-[(5-ethyl-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-methoxy-5-(2-phenylethynyl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-prop-1-en-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine

5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine;5-[(5-ethyl-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-methoxy-5-(2-phenylethynyl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-prop-1-en-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine (PubChem CID 157172904) has the molecular formula C61H64BrF3N16O7 and a molecular weight of 1270.19 g/mol. Its IUPAC name is 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine;5-[(5-ethyl-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-methoxy-5-(2-phenylethynyl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-prop-1-en-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine;5-[(5-ethyl-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-methoxy-5-(2-phenylethynyl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-prop-1-en-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine
• PubChem CID: 157172904
• Molecular Formula: C61H64BrF3N16O7
• Molecular Weight: 1270.19 g/mol
• Exact Mass: 1268.43
• IUPAC Name: 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine;5-[(5-ethyl-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-methoxy-5-(2-phenylethynyl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-prop-1-en-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine
• SMILES: C=C(C)c1cnc(OC)cc1Oc1cnc(C)nc1N.CCc1cnc(OC)cc1Oc1cnc(C)nc1N.COc1cc(Oc2cnc(C)nc2N)c(C#Cc2ccccc2)cn1.Cc1ncc(Oc2cc(Br)ncc2C(C)C)c(NCC(F)(F)F)n1
• InChI: InChI=1S/C19H16N4O2.C15H16BrF3N4O.C14H16N4O2.C13H16N4O2/c1-13-21-12-17(19(20)23-13)25-16-10-18(24-2)22-11-15(16)9-8-14-6-4-3-5-7-14;1-8(2)10-5-21-13(16)4-11(10)24-12-6-20-9(3)23-14(12)22-7-15(17,18)19;1-8(2)10-6-17-13(19-4)5-11(10)20-12-7-16-9(3)18-14(12)15;1-4-9-6-16-12(18-3)5-10(9)19-11-7-15-8(2)17-13(11)14/h3-7,10-12H,1-2H3,(H2,20,21,23);4-6,8H,7H2,1-3H3,(H,20,22,23);5-7H,1H2,2-4H3,(H2,15,16,18);5-7H,4H2,1-3H3,(H2,14,15,17)
• InChIKey: ANRGVIVFSNDOOL-UHFFFAOYSA-N
• XLogP: 12.52
• TPSA: 309.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1270.19
LogP ≤ 5	12.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

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 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine;5-[(5-ethyl-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-methoxy-5-(2-phenylethynyl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-prop-1-en-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine?

The IUPAC name of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine;5-[(5-ethyl-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-methoxy-5-(2-phenylethynyl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-prop-1-en-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine (CID 157172904) is 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine;5-[(5-ethyl-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-methoxy-5-(2-phenylethynyl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-prop-1-en-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine.

What is the SMILES notation for 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine;5-[(5-ethyl-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-methoxy-5-(2-phenylethynyl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-prop-1-en-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine?

The canonical SMILES for 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine;5-[(5-ethyl-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-methoxy-5-(2-phenylethynyl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-prop-1-en-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine is C=C(C)c1cnc(OC)cc1Oc1cnc(C)nc1N.CCc1cnc(OC)cc1Oc1cnc(C)nc1N.COc1cc(Oc2cnc(C)nc2N)c(C#Cc2ccccc2)cn1.Cc1ncc(Oc2cc(Br)ncc2C(C)C)c(NCC(F)(F)F)n1.

What is the InChIKey of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine;5-[(5-ethyl-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-methoxy-5-(2-phenylethynyl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-prop-1-en-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine?

The InChIKey is ANRGVIVFSNDOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2.C15H16BrF3N4O.C14H16N4O2.C13H16N4O2/c1-13-21-12-17(19(20)23-13)25-16-10-18(24-2)22-11-15(16)9-8-14-6-4-3-5-7-14;1-8(2)10-5-21-13(16)4-11(10)24-12-6-20-9(3)23-14(12)22-7-15(17,18)19;1-8(2)10-6-17-13(19-4)5-11(10)20-12-7-16-9(3)18-14(12)15;1-4-9-6-16-12(18-3)5-10(9)19-11-7-15-8(2)17-13(11)14/h3-7,10-12H,1-2H3,(H2,20,21,23);4-6,8H,7H2,1-3H3,(H,20,22,23);5-7H,1H2,2-4H3,(H2,15,16,18);5-7H,4H2,1-3H3,(H2,14,15,17).

What are the key properties of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine;5-[(5-ethyl-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-methoxy-5-(2-phenylethynyl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-prop-1-en-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine?

5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine;5-[(5-ethyl-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-methoxy-5-(2-phenylethynyl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-prop-1-en-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine has a molecular weight of 1270.19 g/mol, XLogP of 12.52, 16 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)oxy]-2-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine;5-[(5-ethyl-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-methoxy-5-(2-phenylethynyl)-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-methoxy-5-prop-1-en-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 157172904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).