4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridine-2-thione;5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-diethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-dimethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-(methylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine

C101H137N31O9P2S2 — CID 167539201

About 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridine-2-thione;5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-diethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-dimethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-(methylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine

4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridine-2-thione;5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-diethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-dimethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-(methylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine (PubChem CID 167539201) has the molecular formula C101H137N31O9P2S2 and a molecular weight of 2055.50 g/mol. Its IUPAC name is 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridine-2-thione;5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-diethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-dimethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-(methylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridine-2-thione;5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-diethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-dimethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-(methylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine
• PubChem CID: 167539201
• Molecular Formula: C101H137N31O9P2S2
• Molecular Weight: 2055.50 g/mol
• Exact Mass: 2054.01
• IUPAC Name: 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridine-2-thione;5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-diethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-dimethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-(methylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine
• SMILES: CCP(=O)(CC)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CNc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CSc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(=S)[nH]cc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(N(C)C)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(N)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(P(C)(C)=O)ncc2C(C)C)c(N)n1
• InChI: InChI=1S/C17H25N4O2P.C15H21N5O.C15H21N4O2P.C14H19N5O.C14H18N4OS.C13H17N5O.C13H16N4OS/c1-6-24(22,7-2)16-8-14(13(9-20-16)11(3)4)23-15-10-19-12(5)21-17(15)18;1-9(2)11-7-18-14(20(4)5)6-12(11)21-13-8-17-10(3)19-15(13)16;1-9(2)11-7-18-14(22(4,5)20)6-12(11)21-13-8-17-10(3)19-15(13)16;1-8(2)10-6-18-13(16-4)5-11(10)20-12-7-17-9(3)19-14(12)15;1-8(2)10-6-17-13(20-4)5-11(10)19-12-7-16-9(3)18-14(12)15;1-7(2)9-5-17-12(14)4-10(9)19-11-6-16-8(3)18-13(11)15;1-7(2)9-5-16-12(19)4-10(9)18-11-6-15-8(3)17-13(11)14/h8-11H,6-7H2,1-5H3,(H2,18,19,21);6-9H,1-5H3,(H2,16,17,19);6-9H,1-5H3,(H2,16,17,19);5-8H,1-4H3,(H,16,18)(H2,15,17,19);5-8H,1-4H3,(H2,15,16,18);4-7H,1-3H3,(H2,14,17)(H2,15,16,18);4-7H,1-3H3,(H,16,19)(H2,14,15,17)
• InChIKey: AYHQLSDJYDQZNC-UHFFFAOYSA-N
• XLogP: 21.10
• TPSA: 595.77 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 41
• Rotatable Bonds: 28
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2055.50
LogP ≤ 5	21.10
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridine-2-thione;5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-diethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-dimethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-(methylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?

The IUPAC name of 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridine-2-thione;5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-diethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-dimethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-(methylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine (CID 167539201) is 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridine-2-thione;5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-diethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-dimethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-(methylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine.

What is the SMILES notation for 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridine-2-thione;5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-diethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-dimethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-(methylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?

The canonical SMILES for 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridine-2-thione;5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-diethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-dimethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-(methylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine is CCP(=O)(CC)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CNc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CSc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(=S)[nH]cc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(N(C)C)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(N)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(P(C)(C)=O)ncc2C(C)C)c(N)n1.

What is the InChIKey of 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridine-2-thione;5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-diethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-dimethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-(methylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?

The InChIKey is AYHQLSDJYDQZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N4O2P.C15H21N5O.C15H21N4O2P.C14H19N5O.C14H18N4OS.C13H17N5O.C13H16N4OS/c1-6-24(22,7-2)16-8-14(13(9-20-16)11(3)4)23-15-10-19-12(5)21-17(15)18;1-9(2)11-7-18-14(20(4)5)6-12(11)21-13-8-17-10(3)19-15(13)16;1-9(2)11-7-18-14(22(4,5)20)6-12(11)21-13-8-17-10(3)19-15(13)16;1-8(2)10-6-18-13(16-4)5-11(10)20-12-7-17-9(3)19-14(12)15;1-8(2)10-6-17-13(20-4)5-11(10)19-12-7-16-9(3)18-14(12)15;1-7(2)9-5-17-12(14)4-10(9)19-11-6-16-8(3)18-13(11)15;1-7(2)9-5-16-12(19)4-10(9)18-11-6-15-8(3)17-13(11)14/h8-11H,6-7H2,1-5H3,(H2,18,19,21);6-9H,1-5H3,(H2,16,17,19);6-9H,1-5H3,(H2,16,17,19);5-8H,1-4H3,(H,16,18)(H2,15,17,19);5-8H,1-4H3,(H2,15,16,18);4-7H,1-3H3,(H2,14,17)(H2,15,16,18);4-7H,1-3H3,(H,16,19)(H2,14,15,17).

What are the key properties of 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridine-2-thione;5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-diethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-dimethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-(methylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?

4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridine-2-thione;5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-diethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-dimethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-(methylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine has a molecular weight of 2055.50 g/mol, XLogP of 21.10, 28 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-1H-pyridine-2-thione;5-[(2-amino-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(2-diethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[2-(dimethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-dimethylphosphoryl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-(methylamino)-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine is sourced from PubChem (CID 167539201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).