4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-methylsulfonylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-(2,5-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-ethyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine

C₁₀₁H₁₁₆BrClF₃N₂₃O₅S₂ — CID 159511080

About 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-methylsulfonylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-(2,5-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-ethyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine

4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-methylsulfonylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-(2,5-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-ethyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine (PubChem CID 159511080) has the molecular formula C₁₀₁H₁₁₆BrClF₃N₂₃O₅S₂ and a molecular weight of 1968.68 g/mol. Its IUPAC name is 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-methylsulfonylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-(2,5-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-ethyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-methylsulfonylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-(2,5-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-ethyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine
• PubChem CID: 159511080
• Molecular Formula: C₁₀₁H₁₁₆BrClF₃N₂₃O₅S₂
• Molecular Weight: 1968.68 g/mol
• Exact Mass: 1965.78
• IUPAC Name: 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-methylsulfonylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-(2,5-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-ethyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine
• SMILES: CCc1cc(-c2cc(Br)ccc2OC)nc(N)n1.CCc1cc(-c2cc(C)ccc2C)nc(N)n1.CCc1cc(-c2cccnc2C(F)(F)F)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCc2cccc(S(C)(=O)=O)c2)nc(N)n1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NCC(C)(C)C)nc(N)n3)c3ccccc32)cc1.Cc1cccc(-c2cc(NCC(C)(C)C)nc(N)n2)c1C
• InChI: InChI=1S/C24H27N5O2S.C21H23ClN4O2S.C17H24N4.C14H17N3.C13H14BrN3O.C12H11F3N4/c1-16-9-11-17(12-10-16)32(30,31)29-14-19(18-7-5-6-8-21(18)29)20-13-22(28-23(25)27-20)26-15-24(2,3)4;1-14-17(9-4-10-18(14)22)19-13-20(26-21(23)25-19)24-11-5-7-15-6-3-8-16(12-15)29(2,27)28;1-11-7-6-8-13(12(11)2)14-9-15(21-16(18)20-14)19-10-17(3,4)5;1-4-11-8-13(17-14(15)16-11)12-7-9(2)5-6-10(12)3;1-3-9-7-11(17-13(15)16-9)10-6-8(14)4-5-12(10)18-2;1-2-7-6-9(19-11(16)18-7)8-4-3-5-17-10(8)12(13,14)15/h5-14H,15H2,1-4H3,(H3,25,26,27,28);3-4,6,8-10,12-13H,5,7,11H2,1-2H3,(H3,23,24,25,26);6-9H,10H2,1-5H3,(H3,18,19,20,21);5-8H,4H2,1-3H3,(H2,15,16,17);4-7H,3H2,1-2H3,(H2,15,16,17);3-6H,2H2,1H3,(H2,16,18,19)
• InChIKey: MAPOHRPCHIEYMT-UHFFFAOYSA-N
• XLogP: 21.29
• TPSA: 442.22 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1968.68
LogP ≤ 5	21.29
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-methylsulfonylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-(2,5-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-ethyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine?

The IUPAC name of 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-methylsulfonylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-(2,5-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-ethyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine (CID 159511080) is 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-methylsulfonylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-(2,5-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-ethyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine.

What is the SMILES notation for 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-methylsulfonylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-(2,5-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-ethyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine?

The canonical SMILES for 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-methylsulfonylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-(2,5-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-ethyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine is CCc1cc(-c2cc(Br)ccc2OC)nc(N)n1.CCc1cc(-c2cc(C)ccc2C)nc(N)n1.CCc1cc(-c2cccnc2C(F)(F)F)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCc2cccc(S(C)(=O)=O)c2)nc(N)n1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NCC(C)(C)C)nc(N)n3)c3ccccc32)cc1.Cc1cccc(-c2cc(NCC(C)(C)C)nc(N)n2)c1C.

What is the InChIKey of 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-methylsulfonylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-(2,5-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-ethyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine?

The InChIKey is MAPOHRPCHIEYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S.C21H23ClN4O2S.C17H24N4.C14H17N3.C13H14BrN3O.C12H11F3N4/c1-16-9-11-17(12-10-16)32(30,31)29-14-19(18-7-5-6-8-21(18)29)20-13-22(28-23(25)27-20)26-15-24(2,3)4;1-14-17(9-4-10-18(14)22)19-13-20(26-21(23)25-19)24-11-5-7-15-6-3-8-16(12-15)29(2,27)28;1-11-7-6-8-13(12(11)2)14-9-15(21-16(18)20-14)19-10-17(3,4)5;1-4-11-8-13(17-14(15)16-11)12-7-9(2)5-6-10(12)3;1-3-9-7-11(17-13(15)16-9)10-6-8(14)4-5-12(10)18-2;1-2-7-6-9(19-11(16)18-7)8-4-3-5-17-10(8)12(13,14)15/h5-14H,15H2,1-4H3,(H3,25,26,27,28);3-4,6,8-10,12-13H,5,7,11H2,1-2H3,(H3,23,24,25,26);6-9H,10H2,1-5H3,(H3,18,19,20,21);5-8H,4H2,1-3H3,(H2,15,16,17);4-7H,3H2,1-2H3,(H2,15,16,17);3-6H,2H2,1H3,(H2,16,18,19).

What are the key properties of 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-methylsulfonylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-(2,5-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-ethyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine?

4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-methylsulfonylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-(2,5-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-ethyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 1968.68 g/mol, XLogP of 21.29, 22 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-methylsulfonylphenyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-(2,5-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-ethyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 159511080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159511080 — identifiers, structure, computed properties (public domain)

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