1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[[2-(benzenesulfinyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine

C82H98N20O8S — CID 167704705

About 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[[2-(benzenesulfinyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine

1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[[2-(benzenesulfinyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine (PubChem CID 167704705) has the molecular formula C82H98N20O8S and a molecular weight of 1523.88 g/mol. Its IUPAC name is 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[[2-(benzenesulfinyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[[2-(benzenesulfinyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine
• PubChem CID: 167704705
• Molecular Formula: C82H98N20O8S
• Molecular Weight: 1523.88 g/mol
• Exact Mass: 1522.76
• IUPAC Name: 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[[2-(benzenesulfinyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine
• SMILES: C=C(C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.C=C(OCC)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.C=Cc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CC(=O)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(S(=O)c3ccccc3)ncc2C(C)C)c(N)n1
• InChI: InChI=1S/C19H20N4O2S.C17H22N4O2.C16H20N4O.C15H18N4O2.C15H18N4O/c1-12(2)15-10-22-18(26(24)14-7-5-4-6-8-14)9-16(15)25-17-11-21-13(3)23-19(17)20;1-6-22-11(4)14-7-15(13(8-20-14)10(2)3)23-16-9-19-12(5)21-17(16)18;1-9(2)12-7-19-13(10(3)4)6-14(12)21-15-8-18-11(5)20-16(15)17;1-8(2)11-6-18-12(9(3)20)5-13(11)21-14-7-17-10(4)19-15(14)16;1-5-11-6-13(12(7-18-11)9(2)3)20-14-8-17-10(4)19-15(14)16/h4-12H,1-3H3,(H2,20,21,23);7-10H,4,6H2,1-3,5H3,(H2,18,19,21);6-9H,3H2,1-2,4-5H3,(H2,17,18,20);5-8H,1-4H3,(H2,16,17,19);5-9H,1H2,2-4H3,(H2,16,17,19)
• InChIKey: YXSSOVSWCLPIEB-UHFFFAOYSA-N
• XLogP: 17.44
• TPSA: 412.97 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1523.88
LogP ≤ 5	17.44
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[[2-(benzenesulfinyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?

The IUPAC name of 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[[2-(benzenesulfinyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine (CID 167704705) is 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[[2-(benzenesulfinyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine.

What is the SMILES notation for 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[[2-(benzenesulfinyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?

The canonical SMILES for 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[[2-(benzenesulfinyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine is C=C(C)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.C=C(OCC)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.C=Cc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CC(=O)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(S(=O)c3ccccc3)ncc2C(C)C)c(N)n1.

What is the InChIKey of 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[[2-(benzenesulfinyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?

The InChIKey is YXSSOVSWCLPIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S.C17H22N4O2.C16H20N4O.C15H18N4O2.C15H18N4O/c1-12(2)15-10-22-18(26(24)14-7-5-4-6-8-14)9-16(15)25-17-11-21-13(3)23-19(17)20;1-6-22-11(4)14-7-15(13(8-20-14)10(2)3)23-16-9-19-12(5)21-17(16)18;1-9(2)12-7-19-13(10(3)4)6-14(12)21-15-8-18-11(5)20-16(15)17;1-8(2)11-6-18-12(9(3)20)5-13(11)21-14-7-17-10(4)19-15(14)16;1-5-11-6-13(12(7-18-11)9(2)3)20-14-8-17-10(4)19-15(14)16/h4-12H,1-3H3,(H2,20,21,23);7-10H,4,6H2,1-3,5H3,(H2,18,19,21);6-9H,3H2,1-2,4-5H3,(H2,17,18,20);5-8H,1-4H3,(H2,16,17,19);5-9H,1H2,2-4H3,(H2,16,17,19).

What are the key properties of 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[[2-(benzenesulfinyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?

1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[[2-(benzenesulfinyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine has a molecular weight of 1523.88 g/mol, XLogP of 17.44, 23 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[[2-(benzenesulfinyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(1-ethoxyethenyl)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine is sourced from PubChem (CID 167704705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).