N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine

C₁₀₉H₁₂₈Cl₃F₂N₂₃O₁₈S₄ — CID 159414125

About N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine

N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine (PubChem CID 159414125) has the molecular formula C₁₀₉H₁₂₈Cl₃F₂N₂₃O₁₈S₄ and a molecular weight of 2320.99 g/mol. Its IUPAC name is N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine.

Molecular Properties

• Compound Name: N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine
• PubChem CID: 159414125
• Molecular Formula: C₁₀₉H₁₂₈Cl₃F₂N₂₃O₁₈S₄
• Molecular Weight: 2320.99 g/mol
• Exact Mass: 2317.77
• IUPAC Name: N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine
• SMILES: Cc1c(Nc2ccc(S(=O)(=O)C3CC3)cc2Cl)ncnc1OC(C)C.Cc1c(Nc2ccc(S(=O)(=O)C3CC3)cc2F)ncnc1OC(C)C.Cc1c(Nc2ccc(S(C)(=O)=O)cc2Cl)ncnc1OC(C)C.Cc1c(Nc2ccc(S(C)(=O)=O)cc2F)ncnc1OC(C)C.Cc1c(Oc2ccc(-n3cncn3)cc2Cl)ncnc1OC(C)C.Cc1ccc(Oc2ncnc(OC(C)C)c2C)c(C)n1.Cc1ncccc1Oc1ncnc(OC(C)C)c1C
• InChI: InChI=1S/C17H20ClN3O3S.C17H20FN3O3S.C16H16ClN5O2.C15H18ClN3O3S.C15H18FN3O3S.C15H19N3O2.C14H17N3O2/c2*1-10(2)24-17-11(3)16(19-9-20-17)21-15-7-6-13(8-14(15)18)25(22,23)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;2*1-9(2)22-15-10(3)14(17-8-18-15)19-13-6-5-11(7-12(13)16)23(4,20)21;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,(H,19,20,21);4-10H,1-3H3;2*5-9H,1-4H3,(H,17,18,19);6-9H,1-5H3;5-9H,1-4H3
• InChIKey: LOYFZYHKZSJCGR-UHFFFAOYSA-N
• XLogP: 23.57
• TPSA: 513.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 41
• Rotatable Bonds: 35
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2320.99
LogP ≤ 5	23.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

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

The IUPAC name of N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine (CID 159414125) is N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-methylsulfonylphenyl)-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 N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine?

The canonical SMILES for N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;5-methyl-4-[(2-methyl-3-pyridinyl)oxy]-6-propan-2-yloxypyrimidine is Cc1c(Nc2ccc(S(=O)(=O)C3CC3)cc2Cl)ncnc1OC(C)C.Cc1c(Nc2ccc(S(=O)(=O)C3CC3)cc2F)ncnc1OC(C)C.Cc1c(Nc2ccc(S(C)(=O)=O)cc2Cl)ncnc1OC(C)C.Cc1c(Nc2ccc(S(C)(=O)=O)cc2F)ncnc1OC(C)C.Cc1c(Oc2ccc(-n3cncn3)cc2Cl)ncnc1OC(C)C.Cc1ccc(Oc2ncnc(OC(C)C)c2C)c(C)n1.Cc1ncccc1Oc1ncnc(OC(C)C)c1C.

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

The InChIKey is LOYFZYHKZSJCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S.C17H20FN3O3S.C16H16ClN5O2.C15H18ClN3O3S.C15H18FN3O3S.C15H19N3O2.C14H17N3O2/c2*1-10(2)24-17-11(3)16(19-9-20-17)21-15-7-6-13(8-14(15)18)25(22,23)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;2*1-9(2)22-15-10(3)14(17-8-18-15)19-13-6-5-11(7-12(13)16)23(4,20)21;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,(H,19,20,21);4-10H,1-3H3;2*5-9H,1-4H3,(H,17,18,19);6-9H,1-5H3;5-9H,1-4H3.

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

N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-methylsulfonylphenyl)-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 2320.99 g/mol, XLogP of 23.57, 35 rotatable bonds, 4 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-4-cyclopropylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;N-(2-chloro-4-methylsulfonylphenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[2-chloro-4-(1,2,4-triazol-1-yl)phenoxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(4-cyclopropylsulfonyl-2-fluorophenyl)-5-methyl-6-propan-2-yloxypyrimidin-4-amine;4-[(2,6-dimethyl-3-pyridinyl)oxy]-5-methyl-6-propan-2-yloxypyrimidine;N-(2-fluoro-4-methylsulfonylphenyl)-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 159414125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159414125 — identifiers, structure, computed properties (public domain)

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