4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;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;3-N-[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-8-N-methyl-5,6,7,8-tetrahydroquinoline-3,8-diamine

C101H104Br4F3N25O16 — CID 157271324

About 4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;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;3-N-[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-8-N-methyl-5,6,7,8-tetrahydroquinoline-3,8-diamine

4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;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;3-N-[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-8-N-methyl-5,6,7,8-tetrahydroquinoline-3,8-diamine (PubChem CID 157271324) has the molecular formula C101H104Br4F3N25O16 and a molecular weight of 2300.71 g/mol. Its IUPAC name is 4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;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;3-N-[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-8-N-methyl-5,6,7,8-tetrahydroquinoline-3,8-diamine.

Molecular Properties

• Compound Name: 4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;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;3-N-[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-8-N-methyl-5,6,7,8-tetrahydroquinoline-3,8-diamine
• PubChem CID: 157271324
• Molecular Formula: C101H104Br4F3N25O16
• Molecular Weight: 2300.71 g/mol
• Exact Mass: 2295.48
• IUPAC Name: 4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;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;3-N-[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-8-N-methyl-5,6,7,8-tetrahydroquinoline-3,8-diamine
• SMILES: CCN1CCOc2cc(Nc3nc(Nc4ccc5c(c4)CCC(=O)N5)ncc3Br)cnc21.CNC(=O)c1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br.CNC1CCCc2cc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)cnc21.COc1cc(Nc2ncc(Br)c(N(C)C(=O)c3ccccc3O)n2)cc(OC)c1OC.COc1cc(Nc2ncc(Br)c(Oc3ccccc3N)n2)cc(OC)c1OC
• InChI: InChI=1S/C22H22BrN7O2.2C21H21BrN4O5.C19H19BrN4O4.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;1-25-15-8-11(9-16(26-2)17(15)27-3)23-19-22-10-12(20)18(24-19)28-14-7-5-4-6-13(14)21;1-22-14-4-2-3-10-7-12(8-23-15(10)14)26-17-24-9-13(18(19,20)21)16(27-17)25-11-5-6-11/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);4-10H,21H2,1-3H3,(H,22,23,24);7-9,11,14,22H,2-6H2,1H3,(H2,24,25,26,27)
• InChIKey: AYONRQRYGLCZNC-UHFFFAOYSA-N
• XLogP: 20.56
• TPSA: 489.68 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 38
• Rotatable Bonds: 32
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2300.71
LogP ≤ 5	20.56
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;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;3-N-[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-8-N-methyl-5,6,7,8-tetrahydroquinoline-3,8-diamine?

The IUPAC name of 4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;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;3-N-[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-8-N-methyl-5,6,7,8-tetrahydroquinoline-3,8-diamine (CID 157271324) is 4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;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;3-N-[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-8-N-methyl-5,6,7,8-tetrahydroquinoline-3,8-diamine.

What is the SMILES notation for 4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;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;3-N-[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-8-N-methyl-5,6,7,8-tetrahydroquinoline-3,8-diamine?

The canonical SMILES for 4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;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;3-N-[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-8-N-methyl-5,6,7,8-tetrahydroquinoline-3,8-diamine is CCN1CCOc2cc(Nc3nc(Nc4ccc5c(c4)CCC(=O)N5)ncc3Br)cnc21.CNC(=O)c1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br.CNC1CCCc2cc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)cnc21.COc1cc(Nc2ncc(Br)c(N(C)C(=O)c3ccccc3O)n2)cc(OC)c1OC.COc1cc(Nc2ncc(Br)c(Oc3ccccc3N)n2)cc(OC)c1OC.

What is the InChIKey of 4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;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;3-N-[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-8-N-methyl-5,6,7,8-tetrahydroquinoline-3,8-diamine?

The InChIKey is AYONRQRYGLCZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN7O2.2C21H21BrN4O5.C19H19BrN4O4.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;1-25-15-8-11(9-16(26-2)17(15)27-3)23-19-22-10-12(20)18(24-19)28-14-7-5-4-6-13(14)21;1-22-14-4-2-3-10-7-12(8-23-15(10)14)26-17-24-9-13(18(19,20)21)16(27-17)25-11-5-6-11/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);4-10H,21H2,1-3H3,(H,22,23,24);7-9,11,14,22H,2-6H2,1H3,(H2,24,25,26,27).

What are the key properties of 4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;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;3-N-[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-8-N-methyl-5,6,7,8-tetrahydroquinoline-3,8-diamine?

4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;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;3-N-[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-8-N-methyl-5,6,7,8-tetrahydroquinoline-3,8-diamine has a molecular weight of 2300.71 g/mol, XLogP of 20.56, 32 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-aminophenoxy)-5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;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;3-N-[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]-8-N-methyl-5,6,7,8-tetrahydroquinoline-3,8-diamine is sourced from PubChem (CID 157271324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).