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

C155H168Cl4F4N30O18S4 — CID 161263479

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

4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-chloro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-ylpyrimidine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-ylpyrimidine;4-(2-fluoro-4-isocyanophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[2-fluoro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-ylpyrimidine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-ylpyrimidine (PubChem CID 161263479) has the molecular formula C155H168Cl4F4N30O18S4 and a molecular weight of 3085.31 g/mol. Its IUPAC name is 4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-chloro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-ylpyrimidine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-ylpyrimidine;4-(2-fluoro-4-isocyanophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[2-fluoro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-ylpyrimidine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-ylpyrimidine.

Molecular Properties

• Compound Name: 4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-chloro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-ylpyrimidine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-ylpyrimidine;4-(2-fluoro-4-isocyanophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[2-fluoro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-ylpyrimidine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-ylpyrimidine
• PubChem CID: 161263479
• Molecular Formula: C155H168Cl4F4N30O18S4
• Molecular Weight: 3085.31 g/mol
• Exact Mass: 3081.07
• IUPAC Name: 4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-chloro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-ylpyrimidine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-ylpyrimidine;4-(2-fluoro-4-isocyanophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[2-fluoro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-ylpyrimidine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-ylpyrimidine
• SMILES: Cc1c(Oc2ccc(-n3cncn3)cc2Cl)ncnc1C(C)C.Cc1c(Oc2ccc(-n3cncn3)cc2F)ncnc1C(C)C.Cc1c(Oc2ccc(S(=O)(=O)C3CC3)cc2Cl)ncnc1C(C)C.Cc1c(Oc2ccc(S(=O)(=O)C3CC3)cc2F)ncnc1C(C)C.Cc1c(Oc2ccc(S(C)(=O)=O)cc2Cl)ncnc1C(C)C.Cc1c(Oc2ccc(S(C)(=O)=O)cc2F)ncnc1C(C)C.Cc1ccc(Oc2ncnc(C(C)C)c2C)c(C)n1.Cc1ncccc1Oc1ncnc(C(C)C)c1C.[C-]#[N+]c1ccc(Oc2ncnc(C(C)C)c2C)c(Cl)c1.[C-]#[N+]c1ccc(Oc2ncnc(C(C)C)c2C)c(F)c1
• InChI: InChI=1S/C17H19ClN2O3S.C17H19FN2O3S.C16H16ClN5O.C16H16FN5O.C15H14ClN3O.C15H17ClN2O3S.C15H14FN3O.C15H17FN2O3S.C15H19N3O.C14H17N3O/c2*1-10(2)16-11(3)17(20-9-19-16)23-15-7-6-13(8-14(15)18)24(21,22)12-4-5-12;2*1-10(2)15-11(3)16(20-8-19-15)23-14-5-4-12(6-13(14)17)22-9-18-7-21-22;1-9(2)14-10(3)15(19-8-18-14)20-13-6-5-11(17-4)7-12(13)16;1-9(2)14-10(3)15(18-8-17-14)21-13-6-5-11(7-12(13)16)22(4,19)20;1-9(2)14-10(3)15(19-8-18-14)20-13-6-5-11(17-4)7-12(13)16;1-9(2)14-10(3)15(18-8-17-14)21-13-6-5-11(7-12(13)16)22(4,19)20;1-9(2)14-11(4)15(17-8-16-14)19-13-7-6-10(3)18-12(13)5;1-9(2)13-10(3)14(17-8-16-13)18-12-6-5-7-15-11(12)4/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;5-9H,1-4H3
• InChIKey: VCWFNRWIMKMGMV-UHFFFAOYSA-N
• XLogP: 38.83
• TPSA: 582.58 Ų
• H-Bond Acceptors: 46
• Rotatable Bonds: 38
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3085.31
LogP ≤ 5	38.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	46

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

The IUPAC name of 4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-chloro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-ylpyrimidine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-ylpyrimidine;4-(2-fluoro-4-isocyanophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[2-fluoro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-ylpyrimidine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-ylpyrimidine (CID 161263479) is 4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-chloro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-ylpyrimidine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-ylpyrimidine;4-(2-fluoro-4-isocyanophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[2-fluoro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-ylpyrimidine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-ylpyrimidine.

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

The canonical SMILES for 4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-chloro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-ylpyrimidine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-ylpyrimidine;4-(2-fluoro-4-isocyanophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[2-fluoro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-ylpyrimidine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-ylpyrimidine is Cc1c(Oc2ccc(-n3cncn3)cc2Cl)ncnc1C(C)C.Cc1c(Oc2ccc(-n3cncn3)cc2F)ncnc1C(C)C.Cc1c(Oc2ccc(S(=O)(=O)C3CC3)cc2Cl)ncnc1C(C)C.Cc1c(Oc2ccc(S(=O)(=O)C3CC3)cc2F)ncnc1C(C)C.Cc1c(Oc2ccc(S(C)(=O)=O)cc2Cl)ncnc1C(C)C.Cc1c(Oc2ccc(S(C)(=O)=O)cc2F)ncnc1C(C)C.Cc1ccc(Oc2ncnc(C(C)C)c2C)c(C)n1.Cc1ncccc1Oc1ncnc(C(C)C)c1C.[C-]#[N+]c1ccc(Oc2ncnc(C(C)C)c2C)c(Cl)c1.[C-]#[N+]c1ccc(Oc2ncnc(C(C)C)c2C)c(F)c1.

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

The InChIKey is VCWFNRWIMKMGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S.C17H19FN2O3S.C16H16ClN5O.C16H16FN5O.C15H14ClN3O.C15H17ClN2O3S.C15H14FN3O.C15H17FN2O3S.C15H19N3O.C14H17N3O/c2*1-10(2)16-11(3)17(20-9-19-16)23-15-7-6-13(8-14(15)18)24(21,22)12-4-5-12;2*1-10(2)15-11(3)16(20-8-19-15)23-14-5-4-12(6-13(14)17)22-9-18-7-21-22;1-9(2)14-10(3)15(19-8-18-14)20-13-6-5-11(17-4)7-12(13)16;1-9(2)14-10(3)15(18-8-17-14)21-13-6-5-11(7-12(13)16)22(4,19)20;1-9(2)14-10(3)15(19-8-18-14)20-13-6-5-11(17-4)7-12(13)16;1-9(2)14-10(3)15(18-8-17-14)21-13-6-5-11(7-12(13)16)22(4,19)20;1-9(2)14-11(4)15(17-8-16-14)19-13-7-6-10(3)18-12(13)5;1-9(2)13-10(3)14(17-8-16-13)18-12-6-5-7-15-11(12)4/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;5-9H,1-4H3.

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

4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-chloro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-ylpyrimidine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-ylpyrimidine;4-(2-fluoro-4-isocyanophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[2-fluoro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-ylpyrimidine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-ylpyrimidine has a molecular weight of 3085.31 g/mol, XLogP of 38.83, 38 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-4-cyclopropylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-chloro-4-isocyanophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-chloro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-ylpyrimidine;4-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-ylpyrimidine;4-(2-fluoro-4-isocyanophenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-ylpyrimidine;4-[2-fluoro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-ylpyrimidine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-ylpyrimidine is sourced from PubChem (CID 161263479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).