4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;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-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine

C₇₉H₉₂BrF₃N₂₀O₃S — CID 160630855

About 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;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-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine

4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;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-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine (PubChem CID 160630855) has the molecular formula C₇₉H₉₂BrF₃N₂₀O₃S and a molecular weight of 1538.71 g/mol. Its IUPAC name is 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;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-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;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-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine
• PubChem CID: 160630855
• Molecular Formula: C₇₉H₉₂BrF₃N₂₀O₃S
• Molecular Weight: 1538.71 g/mol
• Exact Mass: 1536.65
• IUPAC Name: 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;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-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine
• SMILES: CCc1cc(-c2cc(Br)ccc2OC)nc(N)n1.CCc1cc(-c2cc(C)ccc2C)nc(N)n1.CNc1cc(-c2cccnc2C(F)(F)F)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.C17H24N4.C14H17N3.C13H14BrN3O.C11H10F3N5/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;1-11-7-6-8-13(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;1-16-8-5-7(18-10(15)19-8)6-3-2-4-17-9(6)11(12,13)14/h5-14H,15H2,1-4H3,(H3,25,26,27,28);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);2-5H,1H3,(H3,15,16,18,19)
• InChIKey: RHXFWMUJQRZXGX-UHFFFAOYSA-N
• XLogP: 16.63
• TPSA: 356.28 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1538.71
LogP ≤ 5	16.63
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;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-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine?

The IUPAC name of 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;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-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine (CID 160630855) is 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;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-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;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-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine?

The canonical SMILES for 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;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-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine is CCc1cc(-c2cc(Br)ccc2OC)nc(N)n1.CCc1cc(-c2cc(C)ccc2C)nc(N)n1.CNc1cc(-c2cccnc2C(F)(F)F)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-(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-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine?

The InChIKey is RHXFWMUJQRZXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S.C17H24N4.C14H17N3.C13H14BrN3O.C11H10F3N5/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;1-11-7-6-8-13(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;1-16-8-5-7(18-10(15)19-8)6-3-2-4-17-9(6)11(12,13)14/h5-14H,15H2,1-4H3,(H3,25,26,27,28);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);2-5H,1H3,(H3,15,16,18,19).

What are the key properties of 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;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-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine?

4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;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-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine has a molecular weight of 1538.71 g/mol, XLogP of 16.63, 15 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;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-N-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 160630855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160630855 — identifiers, structure, computed properties (public domain)

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