6-[[5-bromo-4-[(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-2-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C82H85Br3F3N21O12 — CID 161319234

About 6-[[5-bromo-4-[(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-2-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

6-[[5-bromo-4-[(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-2-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 161319234) has the molecular formula C82H85Br3F3N21O12 and a molecular weight of 1853.42 g/mol. Its IUPAC name is 6-[[5-bromo-4-[(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-2-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 6-[[5-bromo-4-[(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-2-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
• PubChem CID: 161319234
• Molecular Formula: C82H85Br3F3N21O12
• Molecular Weight: 1853.42 g/mol
• Exact Mass: 1849.42
• IUPAC Name: 6-[[5-bromo-4-[(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-2-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
• SMILES: CCN1CCCc2cc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)cnc21.CCN1CCOc2cc(Nc3nc(Nc4ccc5c(c4)CCC(=O)N5)ncc3Br)cnc21.CNC(=O)c1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br.COc1cc(Nc2ncc(Br)c(N(C)C(=O)c3ccccc3O)n2)cc(OC)c1OC
• InChI: InChI=1S/C22H22BrN7O2.2C21H21BrN4O5.C18H21F3N6/c1-2-30-7-8-32-18-10-15(11-24-21(18)30)26-20-16(23)12-25-22(29-20)27-14-4-5-17-13(9-14)3-6-19(31)28-17;1-26(20(28)13-7-5-6-8-15(13)27)19-14(22)11-23-21(25-19)24-12-9-16(29-2)18(31-4)17(10-12)30-3;1-23-19(27)13-7-5-6-8-15(13)31-20-14(22)11-24-21(26-20)25-12-9-16(28-2)18(30-4)17(10-12)29-3;1-2-27-7-3-4-11-8-13(9-22-16(11)27)25-17-23-10-14(18(19,20)21)15(26-17)24-12-5-6-12/h4-5,9-12H,2-3,6-8H2,1H3,(H,28,31)(H2,25,26,27,29);5-11,27H,1-4H3,(H,23,24,25);5-11H,1-4H3,(H,23,27)(H,24,25,26);8-10,12H,2-7H2,1H3,(H2,23,24,25,26)
• InChIKey: VJXLRLWVEQFFIT-UHFFFAOYSA-N
• XLogP: 16.36
• TPSA: 380.14 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1853.42
LogP ≤ 5	16.36
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 6-[[5-bromo-4-[(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-2-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The IUPAC name of 6-[[5-bromo-4-[(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-2-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 161319234) is 6-[[5-bromo-4-[(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-2-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 6-[[5-bromo-4-[(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-2-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The canonical SMILES for 6-[[5-bromo-4-[(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-2-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCN1CCCc2cc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)cnc21.CCN1CCOc2cc(Nc3nc(Nc4ccc5c(c4)CCC(=O)N5)ncc3Br)cnc21.CNC(=O)c1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br.COc1cc(Nc2ncc(Br)c(N(C)C(=O)c3ccccc3O)n2)cc(OC)c1OC.

What is the InChIKey of 6-[[5-bromo-4-[(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-2-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?

The InChIKey is VJXLRLWVEQFFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN7O2.2C21H21BrN4O5.C18H21F3N6/c1-2-30-7-8-32-18-10-15(11-24-21(18)30)26-20-16(23)12-25-22(29-20)27-14-4-5-17-13(9-14)3-6-19(31)28-17;1-26(20(28)13-7-5-6-8-15(13)27)19-14(22)11-23-21(25-19)24-12-9-16(29-2)18(31-4)17(10-12)30-3;1-23-19(27)13-7-5-6-8-15(13)31-20-14(22)11-24-21(26-20)25-12-9-16(28-2)18(30-4)17(10-12)29-3;1-2-27-7-3-4-11-8-13(9-22-16(11)27)25-17-23-10-14(18(19,20)21)15(26-17)24-12-5-6-12/h4-5,9-12H,2-3,6-8H2,1H3,(H,28,31)(H2,25,26,27,29);5-11,27H,1-4H3,(H,23,24,25);5-11H,1-4H3,(H,23,27)(H,24,25,26);8-10,12H,2-7H2,1H3,(H2,23,24,25,26).

What are the key properties of 6-[[5-bromo-4-[(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-2-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?

6-[[5-bromo-4-[(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-2-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 1853.42 g/mol, XLogP of 16.36, 25 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-bromo-4-[(4-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;N-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-2-hydroxy-N-methylbenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-N-methylbenzamide;4-N-cyclopropyl-2-N-(8-ethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 161319234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).