2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C110H106Br3F9N26O17 — CID 161006914

About 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 161006914) has the molecular formula C110H106Br3F9N26O17 and a molecular weight of 2474.92 g/mol. Its IUPAC name is 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
• PubChem CID: 161006914
• Molecular Formula: C110H106Br3F9N26O17
• Molecular Weight: 2474.92 g/mol
• Exact Mass: 2470.56
• IUPAC Name: 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
• SMILES: CCC(=O)c1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br.CN(c1nc(Nc2ccc3c(c2)CCC(=O)N3)ncc1C(F)(F)F)C1CC1.CNC(=O)c1c(O)cccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br.COc1cc(Nc2ncc(Br)c(Oc3ccccc3C(N)=O)n2)cc(OC)c1OC.FC(F)(F)c1cnc(Nc2ccc3[nH]ccc3c2)nc1NC1CC1.FC(F)(F)c1cnc(Nc2cccnc2)nc1NC1CC1
• InChI: InChI=1S/C22H22BrN3O5.C21H21BrN4O6.C20H19BrN4O5.C18H18F3N5O.C16H14F3N5.C13H12F3N5/c1-5-16(27)14-8-6-7-9-17(14)31-21-15(23)12-24-22(26-21)25-13-10-18(28-2)20(30-4)19(11-13)29-3;1-23-19(28)17-13(27)6-5-7-14(17)32-20-12(22)10-24-21(26-20)25-11-8-15(29-2)18(31-4)16(9-11)30-3;1-27-15-8-11(9-16(28-2)17(15)29-3)24-20-23-10-13(21)19(25-20)30-14-7-5-4-6-12(14)18(22)26;1-26(12-4-5-12)16-13(18(19,20)21)9-22-17(25-16)23-11-3-6-14-10(8-11)2-7-15(27)24-14;17-16(18,19)12-8-21-15(24-14(12)22-10-1-2-10)23-11-3-4-13-9(7-11)5-6-20-13;14-13(15,16)10-7-18-12(20-9-2-1-5-17-6-9)21-11(10)19-8-3-4-8/h6-12H,5H2,1-4H3,(H,24,25,26);5-10,27H,1-4H3,(H,23,28)(H,24,25,26);4-10H,1-3H3,(H2,22,26)(H,23,24,25);3,6,8-9,12H,2,4-5,7H2,1H3,(H,24,27)(H,22,23,25);3-8,10,20H,1-2H2,(H2,21,22,23,24);1-2,5-8H,3-4H2,(H2,18,19,20,21)
• InChIKey: TWPUTBZBFXVODR-UHFFFAOYSA-N
• XLogP: 24.38
• TPSA: 532.19 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 39
• Rotatable Bonds: 37
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2474.92
LogP ≤ 5	24.38
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The IUPAC name of 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 161006914) is 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The canonical SMILES for 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCC(=O)c1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br.CN(c1nc(Nc2ccc3c(c2)CCC(=O)N3)ncc1C(F)(F)F)C1CC1.CNC(=O)c1c(O)cccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br.COc1cc(Nc2ncc(Br)c(Oc3ccccc3C(N)=O)n2)cc(OC)c1OC.FC(F)(F)c1cnc(Nc2ccc3[nH]ccc3c2)nc1NC1CC1.FC(F)(F)c1cnc(Nc2cccnc2)nc1NC1CC1.

What is the InChIKey of 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The InChIKey is TWPUTBZBFXVODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN3O5.C21H21BrN4O6.C20H19BrN4O5.C18H18F3N5O.C16H14F3N5.C13H12F3N5/c1-5-16(27)14-8-6-7-9-17(14)31-21-15(23)12-24-22(26-21)25-13-10-18(28-2)20(30-4)19(11-13)29-3;1-23-19(28)17-13(27)6-5-7-14(17)32-20-12(22)10-24-21(26-20)25-11-8-15(29-2)18(31-4)16(9-11)30-3;1-27-15-8-11(9-16(28-2)17(15)29-3)24-20-23-10-13(21)19(25-20)30-14-7-5-4-6-12(14)18(22)26;1-26(12-4-5-12)16-13(18(19,20)21)9-22-17(25-16)23-11-3-6-14-10(8-11)2-7-15(27)24-14;17-16(18,19)12-8-21-15(24-14(12)22-10-1-2-10)23-11-3-4-13-9(7-11)5-6-20-13;14-13(15,16)10-7-18-12(20-9-2-1-5-17-6-9)21-11(10)19-8-3-4-8/h6-12H,5H2,1-4H3,(H,24,25,26);5-10,27H,1-4H3,(H,23,28)(H,24,25,26);4-10H,1-3H3,(H2,22,26)(H,23,24,25);3,6,8-9,12H,2,4-5,7H2,1H3,(H,24,27)(H,22,23,25);3-8,10,20H,1-2H2,(H2,21,22,23,24);1-2,5-8H,3-4H2,(H2,18,19,20,21).

What are the key properties of 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?

2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 2474.92 g/mol, XLogP of 24.38, 37 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;6-[[4-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-pyridin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 161006914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).