5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine

C75H91F3N22O14S2 — CID 162133021

About 5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine

5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine (PubChem CID 162133021) has the molecular formula C75H91F3N22O14S2 and a molecular weight of 1645.82 g/mol. Its IUPAC name is 5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine
• PubChem CID: 162133021
• Molecular Formula: C75H91F3N22O14S2
• Molecular Weight: 1645.82 g/mol
• Exact Mass: 1644.65
• IUPAC Name: 5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine
• SMILES: C#Cc1cc(Oc2cnc(C)nc2N)c(C(C)C)nc1OC.COc1nc(C(C)C)c(Oc2cnc(C)nc2N)cc1C#N.COc1nc(C(C)C)c(Oc2cnc(C)nc2N)cc1C(F)(F)F.COc1nc(C(C)C)c(Oc2cnc(C)nc2N)cc1S(C)(=O)=O.COc1nc(C(C)C)c(Oc2cnc(C)nc2N)cc1S(N)(=O)=O
• InChI: InChI=1S/C16H18N4O2.C15H17F3N4O2.C15H17N5O2.C15H20N4O4S.C14H19N5O4S/c1-6-11-7-12(14(9(2)3)20-16(11)21-5)22-13-8-18-10(4)19-15(13)17;1-7(2)12-10(24-11-6-20-8(3)21-13(11)19)5-9(15(16,17)18)14(22-12)23-4;1-8(2)13-11(5-10(6-16)15(20-13)21-4)22-12-7-18-9(3)19-14(12)17;1-8(2)13-10(23-11-7-17-9(3)18-14(11)16)6-12(24(5,20)21)15(19-13)22-4;1-7(2)12-9(23-10-6-17-8(3)18-13(10)15)5-11(24(16,20)21)14(19-12)22-4/h1,7-9H,2-5H3,(H2,17,18,19);5-7H,1-4H3,(H2,19,20,21);5,7-8H,1-4H3,(H2,17,18,19);6-8H,1-5H3,(H2,16,17,18);5-7H,1-4H3,(H2,15,17,18)(H2,16,20,21)
• InChIKey: ZIXJOPSIYCFCQS-UHFFFAOYSA-N
• XLogP: 12.36
• TPSA: 533.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 22
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1645.82
LogP ≤ 5	12.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine?

The IUPAC name of 5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine (CID 162133021) is 5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine.

What is the SMILES notation for 5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine?

The canonical SMILES for 5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine is C#Cc1cc(Oc2cnc(C)nc2N)c(C(C)C)nc1OC.COc1nc(C(C)C)c(Oc2cnc(C)nc2N)cc1C#N.COc1nc(C(C)C)c(Oc2cnc(C)nc2N)cc1C(F)(F)F.COc1nc(C(C)C)c(Oc2cnc(C)nc2N)cc1S(C)(=O)=O.COc1nc(C(C)C)c(Oc2cnc(C)nc2N)cc1S(N)(=O)=O.

What is the InChIKey of 5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine?

The InChIKey is ZIXJOPSIYCFCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2.C15H17F3N4O2.C15H17N5O2.C15H20N4O4S.C14H19N5O4S/c1-6-11-7-12(14(9(2)3)20-16(11)21-5)22-13-8-18-10(4)19-15(13)17;1-7(2)12-10(24-11-6-20-8(3)21-13(11)19)5-9(15(16,17)18)14(22-12)23-4;1-8(2)13-11(5-10(6-16)15(20-13)21-4)22-12-7-18-9(3)19-14(12)17;1-8(2)13-10(23-11-7-17-9(3)18-14(11)16)6-12(24(5,20)21)15(19-13)22-4;1-7(2)12-9(23-10-6-17-8(3)18-13(10)15)5-11(24(16,20)21)14(19-12)22-4/h1,7-9H,2-5H3,(H2,17,18,19);5-7H,1-4H3,(H2,19,20,21);5,7-8H,1-4H3,(H2,17,18,19);6-8H,1-5H3,(H2,16,17,18);5-7H,1-4H3,(H2,15,17,18)(H2,16,20,21).

What are the key properties of 5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine?

5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine has a molecular weight of 1645.82 g/mol, XLogP of 12.36, 22 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-carbonitrile;5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-6-propan-2-ylpyridine-3-sulfonamide;5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[(6-methoxy-5-methylsulfonyl-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine;5-[[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]oxy]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 162133021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).