4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine

C₁₀₉H₁₂₁Cl₂F₃N₂₄O₁₅S₂ — CID 158188525

About 4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine

4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine (PubChem CID 158188525) has the molecular formula C₁₀₉H₁₂₁Cl₂F₃N₂₄O₁₅S₂ and a molecular weight of 2199.35 g/mol. Its IUPAC name is 4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine.

Molecular Properties

• Compound Name: 4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine
• PubChem CID: 158188525
• Molecular Formula: C₁₀₉H₁₂₁Cl₂F₃N₂₄O₁₅S₂
• Molecular Weight: 2199.35 g/mol
• Exact Mass: 2196.82
• IUPAC Name: 4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine
• SMILES: Cc1c(Nc2ccc(-n3cncn3)cc2F)ncnc1OC(C)C.Cc1c(Oc2ccc(S(=O)(=O)C3CC3)cc2Cl)ncnc1OC(C)C.Cc1c(Oc2ccc(S(=O)(=O)C3CC3)cc2F)ncnc1OC(C)C.Cc1ccc(Oc2ncnc(OC(C)C)c2C)c(C)n1.Cc1ncccc1Oc1ncnc(OC(C)C)c1C.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2C)c(Cl)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2C)c(F)c1
• InChI: InChI=1S/C17H19ClN2O4S.C17H19FN2O4S.C16H17FN6O.C15H15ClN4O.C15H15FN4O.C15H19N3O2.C14H17N3O2/c2*1-10(2)23-16-11(3)17(20-9-19-16)24-15-7-6-13(8-14(15)18)25(21,22)12-4-5-12;1-10(2)24-16-11(3)15(19-8-20-16)22-14-5-4-12(6-13(14)17)23-9-18-7-21-23;2*1-9(2)21-15-10(3)14(18-8-19-15)20-13-6-5-11(17-4)7-12(13)16;1-9(2)19-14-11(4)15(17-8-16-14)20-13-7-6-10(3)18-12(13)5;1-9(2)18-13-10(3)14(17-8-16-13)19-12-6-5-7-15-11(12)4/h2*6-10,12H,4-5H2,1-3H3;4-10H,1-3H3,(H,19,20,22);2*5-9H,1-3H3,(H,18,19,20);6-9H,1-5H3;5-9H,1-4H3
• InChIKey: FZLIXCXDJLFCIC-UHFFFAOYSA-N
• XLogP: 25.40
• TPSA: 451.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 37
• Rotatable Bonds: 33
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2199.35
LogP ≤ 5	25.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine?

The IUPAC name of 4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine (CID 158188525) is 4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine.

What is the SMILES notation for 4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine?

The canonical SMILES for 4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine is Cc1c(Nc2ccc(-n3cncn3)cc2F)ncnc1OC(C)C.Cc1c(Oc2ccc(S(=O)(=O)C3CC3)cc2Cl)ncnc1OC(C)C.Cc1c(Oc2ccc(S(=O)(=O)C3CC3)cc2F)ncnc1OC(C)C.Cc1ccc(Oc2ncnc(OC(C)C)c2C)c(C)n1.Cc1ncccc1Oc1ncnc(OC(C)C)c1C.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2C)c(Cl)c1.[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2C)c(F)c1.

What is the InChIKey of 4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine?

The InChIKey is FZLIXCXDJLFCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S.C17H19FN2O4S.C16H17FN6O.C15H15ClN4O.C15H15FN4O.C15H19N3O2.C14H17N3O2/c2*1-10(2)23-16-11(3)17(20-9-19-16)24-15-7-6-13(8-14(15)18)25(21,22)12-4-5-12;1-10(2)24-16-11(3)15(19-8-20-16)22-14-5-4-12(6-13(14)17)23-9-18-7-21-23;2*1-9(2)21-15-10(3)14(18-8-19-15)20-13-6-5-11(17-4)7-12(13)16;1-9(2)19-14-11(4)15(17-8-16-14)20-13-7-6-10(3)18-12(13)5;1-9(2)18-13-10(3)14(17-8-16-13)19-12-6-5-7-15-11(12)4/h2*6-10,12H,4-5H2,1-3H3;4-10H,1-3H3,(H,19,20,22);2*5-9H,1-3H3,(H,18,19,20);6-9H,1-5H3;5-9H,1-4H3.

What are the key properties of 4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine?

4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine has a molecular weight of 2199.35 g/mol, XLogP of 25.40, 33 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;N-(2-chloro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-isocyanophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine is sourced from PubChem (CID 158188525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158188525 — identifiers, structure, computed properties (public domain)

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