1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfinyl-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-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine

C99H123N24O11PS2 — CID 167597596

About 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfinyl-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-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-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-benzylsulfinyl-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-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine (PubChem CID 167597596) has the molecular formula C99H123N24O11PS2 and a molecular weight of 1920.34 g/mol. Its IUPAC name is 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfinyl-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-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-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-benzylsulfinyl-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-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine
• PubChem CID: 167597596
• Molecular Formula: C99H123N24O11PS2
• Molecular Weight: 1920.34 g/mol
• Exact Mass: 1918.90
• IUPAC Name: 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfinyl-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-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-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.CC(=O)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(P3(=O)CCCC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(=O)Cc3ccccc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(C)=O)ncc2C(C)C)c(N)n1
• InChI: InChI=1S/C20H22N4O2S.C17H23N4O2P.C17H22N4O2.C16H20N4O.C15H18N4O2.C14H18N4O2S/c1-13(2)16-10-23-19(27(25)12-15-7-5-4-6-8-15)9-17(16)26-18-11-22-14(3)24-20(18)21;1-11(2)13-9-20-16(24(22)6-4-5-7-24)8-14(13)23-15-10-19-12(3)21-17(15)18;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;1-8(2)10-6-17-13(21(4)19)5-11(10)20-12-7-16-9(3)18-14(12)15/h4-11,13H,12H2,1-3H3,(H2,21,22,24);8-11H,4-7H2,1-3H3,(H2,18,19,21);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);5-8H,1-4H3,(H2,15,16,18)
• InChIKey: JHFNNOQBGLTRIE-UHFFFAOYSA-N
• XLogP: 20.14
• TPSA: 521.03 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 28
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1920.34
LogP ≤ 5	20.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', '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-benzylsulfinyl-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-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-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-benzylsulfinyl-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-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine (CID 167597596) is 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfinyl-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-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-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-benzylsulfinyl-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-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-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-benzylsulfinyl-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-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-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.CC(=O)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(P3(=O)CCCC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(=O)Cc3ccccc3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(S(C)=O)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-benzylsulfinyl-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-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?

The InChIKey is JHFNNOQBGLTRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S.C17H23N4O2P.C17H22N4O2.C16H20N4O.C15H18N4O2.C14H18N4O2S/c1-13(2)16-10-23-19(27(25)12-15-7-5-4-6-8-15)9-17(16)26-18-11-22-14(3)24-20(18)21;1-11(2)13-9-20-16(24(22)6-4-5-7-24)8-14(13)23-15-10-19-12(3)21-17(15)18;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;1-8(2)10-6-17-13(21(4)19)5-11(10)20-12-7-16-9(3)18-14(12)15/h4-11,13H,12H2,1-3H3,(H2,21,22,24);8-11H,4-7H2,1-3H3,(H2,18,19,21);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);5-8H,1-4H3,(H2,15,16,18).

What are the key properties of 1-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]ethanone;5-[(2-benzylsulfinyl-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-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-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-benzylsulfinyl-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-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-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 1920.34 g/mol, XLogP of 20.14, 28 rotatable bonds, 6 hydrogen bond donors, and 35 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-benzylsulfinyl-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-[(2-methylsulfinyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[2-(1-oxo-1λ5-phospholan-1-yl)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-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 167597596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).