4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-chloro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;4-(2-fluoro-4-isocyanophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[2-fluoro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine

C₁₄₁H₁₅₁Cl₄F₄N₂₇O₂₆S₄ — CID 160523706

About 4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-chloro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;4-(2-fluoro-4-isocyanophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[2-fluoro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine

4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-chloro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;4-(2-fluoro-4-isocyanophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[2-fluoro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine (PubChem CID 160523706) has the molecular formula C₁₄₁H₁₅₁Cl₄F₄N₂₇O₂₆S₄ and a molecular weight of 2985.99 g/mol. Its IUPAC name is 4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-chloro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;4-(2-fluoro-4-isocyanophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[2-fluoro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine.

Molecular Properties

• Compound Name: 4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-chloro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;4-(2-fluoro-4-isocyanophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[2-fluoro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine
• PubChem CID: 160523706
• Molecular Formula: C₁₄₁H₁₅₁Cl₄F₄N₂₇O₂₆S₄
• Molecular Weight: 2985.99 g/mol
• Exact Mass: 2981.89
• IUPAC Name: 4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-chloro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;4-(2-fluoro-4-isocyanophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[2-fluoro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine
• SMILES: Cc1c(Oc2ccc(-n3cncn3)cc2Cl)ncnc1OC(C)C.Cc1c(Oc2ccc(-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.Cc1c(Oc2ccc(S(C)(=O)=O)cc2Cl)ncnc1OC(C)C.Cc1c(Oc2ccc(S(C)(=O)=O)cc2F)ncnc1OC(C)C.Cc1ccc(Oc2ncnc(OC(C)C)c2C)c(C)n1.[C-]#[N+]c1ccc(Oc2ncnc(OC(C)C)c2C)c(Cl)c1.[C-]#[N+]c1ccc(Oc2ncnc(OC(C)C)c2C)c(F)c1
• InChI: InChI=1S/C17H19ClN2O4S.C17H19FN2O4S.C16H16ClN5O2.C16H16FN5O2.C15H14ClN3O2.C15H17ClN2O4S.C15H14FN3O2.C15H17FN2O4S.C15H19N3O2/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;2*1-10(2)23-15-11(3)16(20-8-19-15)24-14-5-4-12(6-13(14)17)22-9-18-7-21-22;1-9(2)20-14-10(3)15(19-8-18-14)21-13-6-5-11(17-4)7-12(13)16;1-9(2)21-14-10(3)15(18-8-17-14)22-13-6-5-11(7-12(13)16)23(4,19)20;1-9(2)20-14-10(3)15(19-8-18-14)21-13-6-5-11(17-4)7-12(13)16;1-9(2)21-14-10(3)15(18-8-17-14)22-13-6-5-11(7-12(13)16)23(4,19)20;1-9(2)19-14-11(4)15(17-8-16-14)20-13-7-6-10(3)18-12(13)5/h2*6-10,12H,4-5H2,1-3H3;2*4-10H,1-3H3;5-9H,1-3H3;5-9H,1-4H3;5-9H,1-3H3;5-9H,1-4H3;6-9H,1-5H3
• InChIKey: QUPTUFWSUPQMAM-UHFFFAOYSA-N
• XLogP: 32.40
• TPSA: 617.75 Ų
• H-Bond Acceptors: 51
• Rotatable Bonds: 44
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2985.99
LogP ≤ 5	32.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	51

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;4-(2-chloro-4-isocyanophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-chloro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;4-(2-fluoro-4-isocyanophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[2-fluoro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine?

The IUPAC name of 4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-chloro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;4-(2-fluoro-4-isocyanophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[2-fluoro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine (CID 160523706) is 4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-chloro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;4-(2-fluoro-4-isocyanophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[2-fluoro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine.

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

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

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

The InChIKey is QUPTUFWSUPQMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S.C17H19FN2O4S.C16H16ClN5O2.C16H16FN5O2.C15H14ClN3O2.C15H17ClN2O4S.C15H14FN3O2.C15H17FN2O4S.C15H19N3O2/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;2*1-10(2)23-15-11(3)16(20-8-19-15)24-14-5-4-12(6-13(14)17)22-9-18-7-21-22;1-9(2)20-14-10(3)15(19-8-18-14)21-13-6-5-11(17-4)7-12(13)16;1-9(2)21-14-10(3)15(18-8-17-14)22-13-6-5-11(7-12(13)16)23(4,19)20;1-9(2)20-14-10(3)15(19-8-18-14)21-13-6-5-11(17-4)7-12(13)16;1-9(2)21-14-10(3)15(18-8-17-14)22-13-6-5-11(7-12(13)16)23(4,19)20;1-9(2)19-14-11(4)15(17-8-16-14)20-13-7-6-10(3)18-12(13)5/h2*6-10,12H,4-5H2,1-3H3;2*4-10H,1-3H3;5-9H,1-3H3;5-9H,1-4H3;5-9H,1-3H3;5-9H,1-4H3;6-9H,1-5H3.

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

4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-chloro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;4-(2-fluoro-4-isocyanophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[2-fluoro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine has a molecular weight of 2985.99 g/mol, XLogP of 32.40, 44 rotatable bonds, 0 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-chloro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;4-(2-fluoro-4-isocyanophenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine;4-[2-fluoro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine is sourced from PubChem (CID 160523706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160523706 — identifiers, structure, computed properties (public domain)

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