4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dichlorophenyl)pyrimidin-2-amine);6-(2,3-dichlorophenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine

C₁₀₁H₁₁₇BrCl₆N₂₂O₃S — CID 158522378

About 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dichlorophenyl)pyrimidin-2-amine);6-(2,3-dichlorophenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine

4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dichlorophenyl)pyrimidin-2-amine);6-(2,3-dichlorophenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine (PubChem CID 158522378) has the molecular formula C₁₀₁H₁₁₇BrCl₆N₂₂O₃S and a molecular weight of 2011.89 g/mol. Its IUPAC name is 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dichlorophenyl)pyrimidin-2-amine);6-(2,3-dichlorophenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dichlorophenyl)pyrimidin-2-amine);6-(2,3-dichlorophenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine
• PubChem CID: 158522378
• Molecular Formula: C₁₀₁H₁₁₇BrCl₆N₂₂O₃S
• Molecular Weight: 2011.89 g/mol
• Exact Mass: 2006.67
• IUPAC Name: 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dichlorophenyl)pyrimidin-2-amine);6-(2,3-dichlorophenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine
• SMILES: CC(C)(C)CNc1cc(-c2cccc(Cl)c2Cl)nc(N)n1.CCc1cc(-c2cc(Br)ccc2OC)nc(N)n1.C[C@@H](Cc1cc(-c2cccc(Cl)c2Cl)nc(N)n1)C1CC1.C[C@@H](Cc1cc(-c2cccc(Cl)c2Cl)nc(N)n1)C1CC1.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.C17H24N4.2C16H17Cl2N3.C15H18Cl2N4.C13H14BrN3O/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;2*1-9(10-5-6-10)7-11-8-14(21-16(19)20-11)12-3-2-4-13(17)15(12)18;1-15(2,3)8-19-12-7-11(20-14(18)21-12)9-5-4-6-10(16)13(9)17;1-3-9-7-11(17-13(15)16-9)10-6-8(14)4-5-12(10)18-2/h5-14H,15H2,1-4H3,(H3,25,26,27,28);6-9H,10H2,1-5H3,(H3,18,19,20,21);2*2-4,8-10H,5-7H2,1H3,(H2,19,20,21);4-7H,8H2,1-3H3,(H3,18,19,20,21);4-7H,3H2,1-2H3,(H2,15,16,17)/t;;2*9-;;/m..00../s1
• InChIKey: HMJHSLBLGGIMTK-AIQCFQSKSA-N
• XLogP: 25.28
• TPSA: 395.19 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2011.89
LogP ≤ 5	25.28
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dichlorophenyl)pyrimidin-2-amine);6-(2,3-dichlorophenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?

The IUPAC name of 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dichlorophenyl)pyrimidin-2-amine);6-(2,3-dichlorophenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine (CID 158522378) is 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dichlorophenyl)pyrimidin-2-amine);6-(2,3-dichlorophenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dichlorophenyl)pyrimidin-2-amine);6-(2,3-dichlorophenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?

The canonical SMILES for 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dichlorophenyl)pyrimidin-2-amine);6-(2,3-dichlorophenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine is CC(C)(C)CNc1cc(-c2cccc(Cl)c2Cl)nc(N)n1.CCc1cc(-c2cc(Br)ccc2OC)nc(N)n1.C[C@@H](Cc1cc(-c2cccc(Cl)c2Cl)nc(N)n1)C1CC1.C[C@@H](Cc1cc(-c2cccc(Cl)c2Cl)nc(N)n1)C1CC1.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;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dichlorophenyl)pyrimidin-2-amine);6-(2,3-dichlorophenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?

The InChIKey is HMJHSLBLGGIMTK-AIQCFQSKSA-N. The full InChI is InChI=1S/C24H27N5O2S.C17H24N4.2C16H17Cl2N3.C15H18Cl2N4.C13H14BrN3O/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;2*1-9(10-5-6-10)7-11-8-14(21-16(19)20-11)12-3-2-4-13(17)15(12)18;1-15(2,3)8-19-12-7-11(20-14(18)21-12)9-5-4-6-10(16)13(9)17;1-3-9-7-11(17-13(15)16-9)10-6-8(14)4-5-12(10)18-2/h5-14H,15H2,1-4H3,(H3,25,26,27,28);6-9H,10H2,1-5H3,(H3,18,19,20,21);2*2-4,8-10H,5-7H2,1H3,(H2,19,20,21);4-7H,8H2,1-3H3,(H3,18,19,20,21);4-7H,3H2,1-2H3,(H2,15,16,17)/t;;2*9-;;/m..00../s1.

What are the key properties of 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dichlorophenyl)pyrimidin-2-amine);6-(2,3-dichlorophenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?

4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dichlorophenyl)pyrimidin-2-amine);6-(2,3-dichlorophenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine has a molecular weight of 2011.89 g/mol, XLogP of 25.28, 22 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-bromo-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;bis(4-[(2S)-2-cyclopropylpropyl]-6-(2,3-dichlorophenyl)pyrimidin-2-amine);6-(2,3-dichlorophenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 158522378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158522378 — identifiers, structure, computed properties (public domain)

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