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-(4-cyclopropylsulfonyl-2-fluorophenoxy)-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

C110H116Cl3F4N19O22S4 — CID 157454791

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-(4-cyclopropylsulfonyl-2-fluorophenoxy)-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-(4-cyclopropylsulfonyl-2-fluorophenoxy)-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 157454791) has the molecular formula C110H116Cl3F4N19O22S4 and a molecular weight of 2366.87 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-(4-cyclopropylsulfonyl-2-fluorophenoxy)-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-(4-cyclopropylsulfonyl-2-fluorophenoxy)-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: 157454791
• Molecular Formula: C110H116Cl3F4N19O22S4
• Molecular Weight: 2366.87 g/mol
• Exact Mass: 2363.64
• 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-(4-cyclopropylsulfonyl-2-fluorophenoxy)-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)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.[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.C16H16FN5O2.C15H14ClN3O2.C15H17ClN2O4S.C15H14FN3O2.C15H17FN2O4S/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)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/h2*6-10,12H,4-5H2,1-3H3;4-10H,1-3H3;5-9H,1-3H3;5-9H,1-4H3;5-9H,1-3H3;5-9H,1-4H3
• InChIKey: BTFOSHGGWTXGAQ-UHFFFAOYSA-N
• XLogP: 25.43
• TPSA: 485.67 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 35
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2366.87
LogP ≤ 5	25.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

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-(4-cyclopropylsulfonyl-2-fluorophenoxy)-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-(4-cyclopropylsulfonyl-2-fluorophenoxy)-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 157454791) 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-(4-cyclopropylsulfonyl-2-fluorophenoxy)-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-(4-cyclopropylsulfonyl-2-fluorophenoxy)-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-(4-cyclopropylsulfonyl-2-fluorophenoxy)-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)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.[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-(4-cyclopropylsulfonyl-2-fluorophenoxy)-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 BTFOSHGGWTXGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S.C17H19FN2O4S.C16H16FN5O2.C15H14ClN3O2.C15H17ClN2O4S.C15H14FN3O2.C15H17FN2O4S/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)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/h2*6-10,12H,4-5H2,1-3H3;4-10H,1-3H3;5-9H,1-3H3;5-9H,1-4H3;5-9H,1-3H3;5-9H,1-4H3.

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-(4-cyclopropylsulfonyl-2-fluorophenoxy)-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-(4-cyclopropylsulfonyl-2-fluorophenoxy)-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 2366.87 g/mol, XLogP of 25.43, 35 rotatable bonds, 0 hydrogen bond donors, and 39 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-(4-cyclopropylsulfonyl-2-fluorophenoxy)-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 157454791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).