6-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;methyl 3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzoate;3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;6-[2-(3-phenoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;6-[2-(3-phenylanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one

C159H128N32O20S2 — CID 162258081

About 6-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;methyl 3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzoate;3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;6-[2-(3-phenoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;6-[2-(3-phenylanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one

6-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;methyl 3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzoate;3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;6-[2-(3-phenoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;6-[2-(3-phenylanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one (PubChem CID 162258081) has the molecular formula C159H128N32O20S2 and a molecular weight of 2871.11 g/mol. Its IUPAC name is 6-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;methyl 3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzoate;3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;6-[2-(3-phenoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;6-[2-(3-phenylanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one.

Molecular Properties

• Compound Name: 6-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;methyl 3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzoate;3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;6-[2-(3-phenoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;6-[2-(3-phenylanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one
• PubChem CID: 162258081
• Molecular Formula: C159H128N32O20S2
• Molecular Weight: 2871.11 g/mol
• Exact Mass: 2868.94
• IUPAC Name: 6-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;methyl 3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzoate;3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;6-[2-(3-phenoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;6-[2-(3-phenylanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one
• SMILES: COC(=O)c1cccc(Nc2nccc(-c3ccc4c(c3)N(Cc3ccccn3)C(=O)CO4)n2)c1.COc1cccc(Nc2nccc(-c3ccc4c(c3)N(Cc3ccccn3)C(=O)CO4)n2)c1.NS(=O)(=O)c1ccc(Nc2nccc(-c3ccc4c(c3)N(Cc3ccccn3)C(=O)CO4)n2)cc1.NS(=O)(=O)c1cccc(Nc2nccc(-c3ccc4c(c3)N(Cc3ccccn3)C(=O)CO4)n2)c1.O=C1COc2ccc(-c3ccnc(Nc4cccc(-c5ccccc5)c4)n3)cc2N1Cc1ccccn1.O=C1COc2ccc(-c3ccnc(Nc4cccc(Oc5ccccc5)c4)n3)cc2N1Cc1ccccn1
• InChI: InChI=1S/C30H23N5O3.C30H23N5O2.C26H21N5O4.C25H21N5O3.2C24H20N6O4S/c36-29-20-37-28-13-12-21(17-27(28)35(29)19-23-7-4-5-15-31-23)26-14-16-32-30(34-26)33-22-8-6-11-25(18-22)38-24-9-2-1-3-10-24;36-29-20-37-28-13-12-23(18-27(28)35(29)19-25-10-4-5-15-31-25)26-14-16-32-30(34-26)33-24-11-6-9-22(17-24)21-7-2-1-3-8-21;1-34-25(33)18-5-4-7-19(13-18)29-26-28-12-10-21(30-26)17-8-9-23-22(14-17)31(24(32)16-35-23)15-20-6-2-3-11-27-20;1-32-20-7-4-6-18(14-20)28-25-27-12-10-21(29-25)17-8-9-23-22(13-17)30(24(31)16-33-23)15-19-5-2-3-11-26-19;25-35(32,33)19-6-3-5-17(13-19)28-24-27-11-9-20(29-24)16-7-8-22-21(12-16)30(23(31)15-34-22)14-18-4-1-2-10-26-18;25-35(32,33)19-7-5-17(6-8-19)28-24-27-12-10-20(29-24)16-4-9-22-21(13-16)30(23(31)15-34-22)14-18-3-1-2-11-26-18/h1-18H,19-20H2,(H,32,33,34);1-18H,19-20H2,(H,32,33,34);2-14H,15-16H2,1H3,(H,28,29,30);2-14H,15-16H2,1H3,(H,27,28,29);2*1-13H,14-15H2,(H2,25,32,33)(H,27,28,29)
• InChIKey: ZYWASEDELZAELU-UHFFFAOYSA-N
• XLogP: 25.80
• TPSA: 646.52 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 44
• Rotatable Bonds: 37
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2871.11
LogP ≤ 5	25.80
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;methyl 3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzoate;3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;6-[2-(3-phenoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;6-[2-(3-phenylanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one?

The IUPAC name of 6-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;methyl 3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzoate;3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;6-[2-(3-phenoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;6-[2-(3-phenylanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one (CID 162258081) is 6-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;methyl 3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzoate;3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;6-[2-(3-phenoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;6-[2-(3-phenylanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one.

What is the SMILES notation for 6-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;methyl 3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzoate;3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;6-[2-(3-phenoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;6-[2-(3-phenylanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one?

The canonical SMILES for 6-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;methyl 3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzoate;3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;6-[2-(3-phenoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;6-[2-(3-phenylanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one is COC(=O)c1cccc(Nc2nccc(-c3ccc4c(c3)N(Cc3ccccn3)C(=O)CO4)n2)c1.COc1cccc(Nc2nccc(-c3ccc4c(c3)N(Cc3ccccn3)C(=O)CO4)n2)c1.NS(=O)(=O)c1ccc(Nc2nccc(-c3ccc4c(c3)N(Cc3ccccn3)C(=O)CO4)n2)cc1.NS(=O)(=O)c1cccc(Nc2nccc(-c3ccc4c(c3)N(Cc3ccccn3)C(=O)CO4)n2)c1.O=C1COc2ccc(-c3ccnc(Nc4cccc(-c5ccccc5)c4)n3)cc2N1Cc1ccccn1.O=C1COc2ccc(-c3ccnc(Nc4cccc(Oc5ccccc5)c4)n3)cc2N1Cc1ccccn1.

What is the InChIKey of 6-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;methyl 3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzoate;3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;6-[2-(3-phenoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;6-[2-(3-phenylanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one?

The InChIKey is ZYWASEDELZAELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N5O3.C30H23N5O2.C26H21N5O4.C25H21N5O3.2C24H20N6O4S/c36-29-20-37-28-13-12-21(17-27(28)35(29)19-23-7-4-5-15-31-23)26-14-16-32-30(34-26)33-22-8-6-11-25(18-22)38-24-9-2-1-3-10-24;36-29-20-37-28-13-12-23(18-27(28)35(29)19-25-10-4-5-15-31-25)26-14-16-32-30(34-26)33-24-11-6-9-22(17-24)21-7-2-1-3-8-21;1-34-25(33)18-5-4-7-19(13-18)29-26-28-12-10-21(30-26)17-8-9-23-22(14-17)31(24(32)16-35-23)15-20-6-2-3-11-27-20;1-32-20-7-4-6-18(14-20)28-25-27-12-10-21(29-25)17-8-9-23-22(13-17)30(24(31)16-33-23)15-19-5-2-3-11-26-19;25-35(32,33)19-6-3-5-17(13-19)28-24-27-11-9-20(29-24)16-7-8-22-21(12-16)30(23(31)15-34-22)14-18-4-1-2-10-26-18;25-35(32,33)19-7-5-17(6-8-19)28-24-27-12-10-20(29-24)16-4-9-22-21(13-16)30(23(31)15-34-22)14-18-3-1-2-11-26-18/h1-18H,19-20H2,(H,32,33,34);1-18H,19-20H2,(H,32,33,34);2-14H,15-16H2,1H3,(H,28,29,30);2-14H,15-16H2,1H3,(H,27,28,29);2*1-13H,14-15H2,(H2,25,32,33)(H,27,28,29).

What are the key properties of 6-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;methyl 3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzoate;3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;6-[2-(3-phenoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;6-[2-(3-phenylanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one?

6-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;methyl 3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzoate;3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;6-[2-(3-phenoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;6-[2-(3-phenylanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one has a molecular weight of 2871.11 g/mol, XLogP of 25.80, 37 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;methyl 3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzoate;3-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;4-[[4-[3-oxo-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-6-yl]pyrimidin-2-yl]amino]benzenesulfonamide;6-[2-(3-phenoxyanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one;6-[2-(3-phenylanilino)pyrimidin-4-yl]-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 162258081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).