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

C64H64Br3N15O12 — CID 162053599

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

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 (PubChem CID 162053599) has the molecular formula C64H64Br3N15O12 and a molecular weight of 1475.02 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.

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
• PubChem CID: 162053599
• Molecular Formula: C64H64Br3N15O12
• Molecular Weight: 1475.02 g/mol
• Exact Mass: 1471.24
• 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
• SMILES: 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/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/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)
• InChIKey: YYWJMKQJQQUVGP-UHFFFAOYSA-N
• XLogP: 12.38
• TPSA: 314.17 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1475.02
LogP ≤ 5	12.38
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

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?

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 (CID 162053599) 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.

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?

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 is 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?

The InChIKey is YYWJMKQJQQUVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN7O2.2C21H21BrN4O5/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/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).

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?

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 has a molecular weight of 1475.02 g/mol, XLogP of 12.38, 20 rotatable bonds, 7 hydrogen bond donors, and 24 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 is sourced from PubChem (CID 162053599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).