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-[(2S)-butan-2-yl]-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

C83H105N20O9PS2 — CID 157440663

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-[(2S)-butan-2-yl]-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

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-[(2S)-butan-2-yl]-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 (PubChem CID 157440663) has the molecular formula C83H105N20O9PS2 and a molecular weight of 1621.99 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-[(2S)-butan-2-yl]-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.

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-[(2S)-butan-2-yl]-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
• PubChem CID: 157440663
• Molecular Formula: C83H105N20O9PS2
• Molecular Weight: 1621.99 g/mol
• Exact Mass: 1620.76
• 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-[(2S)-butan-2-yl]-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
• SMILES: CC(=O)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CC[C@H](C)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.C17H24N4O.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;1-6-11(4)14-7-15(13(8-20-14)10(2)3)22-16-9-19-12(5)21-17(16)18;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);7-11H,6H2,1-5H3,(H2,18,19,21);5-8H,1-4H3,(H2,16,17,19);5-8H,1-4H3,(H2,15,16,18)/t;;11-;;/m..0../s1
• InChIKey: BRQCWACBJNAAPU-MUUDHUNJSA-N
• XLogP: 16.93
• TPSA: 437.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1621.99
LogP ≤ 5	16.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'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-[(2S)-butan-2-yl]-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?

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-[(2S)-butan-2-yl]-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 (CID 157440663) 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-[(2S)-butan-2-yl]-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.

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-[(2S)-butan-2-yl]-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?

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-[(2S)-butan-2-yl]-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 is CC(=O)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CC[C@H](C)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-[(2S)-butan-2-yl]-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?

The InChIKey is BRQCWACBJNAAPU-MUUDHUNJSA-N. The full InChI is InChI=1S/C20H22N4O2S.C17H23N4O2P.C17H24N4O.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;1-6-11(4)14-7-15(13(8-20-14)10(2)3)22-16-9-19-12(5)21-17(16)18;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);7-11H,6H2,1-5H3,(H2,18,19,21);5-8H,1-4H3,(H2,16,17,19);5-8H,1-4H3,(H2,15,16,18)/t;;11-;;/m..0../s1.

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-[(2S)-butan-2-yl]-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?

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-[(2S)-butan-2-yl]-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 has a molecular weight of 1621.99 g/mol, XLogP of 16.93, 23 rotatable bonds, 5 hydrogen bond donors, and 29 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-[(2S)-butan-2-yl]-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 is sourced from PubChem (CID 157440663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).