6-amino-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;1-(chloromethyl)-4-methoxybenzene;2,4-dichloro-5-fluoropyrimidine;2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;[6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl dimethyl phosphate;6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;4-[(4-methoxyphenyl)methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one;2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;3,4,5-trimethoxyaniline

C124H134Cl4F4N29O29P — CID 160988160

About 6-amino-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;1-(chloromethyl)-4-methoxybenzene;2,4-dichloro-5-fluoropyrimidine;2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;[6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl dimethyl phosphate;6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;4-[(4-methoxyphenyl)methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one;2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;3,4,5-trimethoxyaniline

6-amino-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;1-(chloromethyl)-4-methoxybenzene;2,4-dichloro-5-fluoropyrimidine;2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;[6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl dimethyl phosphate;6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;4-[(4-methoxyphenyl)methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one;2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;3,4,5-trimethoxyaniline (PubChem CID 160988160) has the molecular formula C124H134Cl4F4N29O29P and a molecular weight of 2743.39 g/mol. Its IUPAC name is 6-amino-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;1-(chloromethyl)-4-methoxybenzene;2,4-dichloro-5-fluoropyrimidine;2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;[6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl dimethyl phosphate;6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;4-[(4-methoxyphenyl)methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one;2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;3,4,5-trimethoxyaniline.

Molecular Properties

• Compound Name: 6-amino-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;1-(chloromethyl)-4-methoxybenzene;2,4-dichloro-5-fluoropyrimidine;2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;[6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl dimethyl phosphate;6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;4-[(4-methoxyphenyl)methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one;2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;3,4,5-trimethoxyaniline
• PubChem CID: 160988160
• Molecular Formula: C124H134Cl4F4N29O29P
• Molecular Weight: 2743.39 g/mol
• Exact Mass: 2739.83
• IUPAC Name: 6-amino-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;1-(chloromethyl)-4-methoxybenzene;2,4-dichloro-5-fluoropyrimidine;2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;[6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl dimethyl phosphate;6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;4-[(4-methoxyphenyl)methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one;2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;3,4,5-trimethoxyaniline
• SMILES: CC1(C)Oc2ccc(N)nc2NC1=O.CC1(C)Oc2ccc(Nc3nc(Cl)ncc3F)nc2NC1=O.CC1(C)Oc2cccnc2NC1=O.CC1Oc2cccnc2NC1=O.COc1cc(N)cc(OC)c1OC.COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)(OC)OC)C(=O)C(C)(C)O4)n2)cc(OC)c1OC.COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC.COc1ccc(CCl)cc1.COc1ccc(CN2C(=O)C(C)(C)Oc3cccnc32)cc1.Fc1cnc(Cl)nc1Cl
• InChI: InChI=1S/C25H30FN6O9P.C22H23FN6O5.C17H18N2O3.C13H11ClFN5O2.C9H11N3O2.C9H10N2O2.C9H13NO3.C8H9ClO.C8H8N2O2.C4HCl2FN2/c1-25(2)23(33)32(13-40-42(34,38-6)39-7)22-16(41-25)8-9-19(30-22)29-21-15(26)12-27-24(31-21)28-14-10-17(35-3)20(37-5)18(11-14)36-4;1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4;1-17(2)16(20)19(15-14(22-17)5-4-10-18-15)11-12-6-8-13(21-3)9-7-12;1-13(2)11(21)19-10-7(22-13)3-4-8(18-10)17-9-6(15)5-16-12(14)20-9;1-9(2)8(13)12-7-5(14-9)3-4-6(10)11-7;1-9(2)8(12)11-7-6(13-9)4-3-5-10-7;1-11-7-4-6(10)5-8(12-2)9(7)13-3;1-10-8-4-2-7(6-9)3-5-8;1-5-8(11)10-7-6(12-5)3-2-4-9-7;5-3-2(7)1-8-4(6)9-3/h8-12H,13H2,1-7H3,(H2,27,28,29,30,31);6-10H,1-5H3,(H3,24,25,26,27,28,29,30);4-10H,11H2,1-3H3;3-5H,1-2H3,(H2,16,17,18,19,20,21);3-4H,1-2H3,(H3,10,11,12,13);3-5H,1-2H3,(H,10,11,12);4-5H,10H2,1-3H3;2-5H,6H2,1H3;2-5H,1H3,(H,9,10,11);1H
• InChIKey: TUGIYBXIEMCMRT-UHFFFAOYSA-N
• XLogP: 21.76
• TPSA: 702.56 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 51
• Rotatable Bonds: 29
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2743.39
LogP ≤ 5	21.76
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;1-(chloromethyl)-4-methoxybenzene;2,4-dichloro-5-fluoropyrimidine;2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;[6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl dimethyl phosphate;6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;4-[(4-methoxyphenyl)methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one;2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;3,4,5-trimethoxyaniline?

The IUPAC name of 6-amino-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;1-(chloromethyl)-4-methoxybenzene;2,4-dichloro-5-fluoropyrimidine;2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;[6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl dimethyl phosphate;6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;4-[(4-methoxyphenyl)methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one;2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;3,4,5-trimethoxyaniline (CID 160988160) is 6-amino-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;1-(chloromethyl)-4-methoxybenzene;2,4-dichloro-5-fluoropyrimidine;2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;[6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl dimethyl phosphate;6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;4-[(4-methoxyphenyl)methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one;2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;3,4,5-trimethoxyaniline.

What is the SMILES notation for 6-amino-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;1-(chloromethyl)-4-methoxybenzene;2,4-dichloro-5-fluoropyrimidine;2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;[6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl dimethyl phosphate;6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;4-[(4-methoxyphenyl)methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one;2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;3,4,5-trimethoxyaniline?

The canonical SMILES for 6-amino-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;1-(chloromethyl)-4-methoxybenzene;2,4-dichloro-5-fluoropyrimidine;2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;[6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl dimethyl phosphate;6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;4-[(4-methoxyphenyl)methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one;2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;3,4,5-trimethoxyaniline is CC1(C)Oc2ccc(N)nc2NC1=O.CC1(C)Oc2ccc(Nc3nc(Cl)ncc3F)nc2NC1=O.CC1(C)Oc2cccnc2NC1=O.CC1Oc2cccnc2NC1=O.COc1cc(N)cc(OC)c1OC.COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)(OC)OC)C(=O)C(C)(C)O4)n2)cc(OC)c1OC.COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC.COc1ccc(CCl)cc1.COc1ccc(CN2C(=O)C(C)(C)Oc3cccnc32)cc1.Fc1cnc(Cl)nc1Cl.

What is the InChIKey of 6-amino-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;1-(chloromethyl)-4-methoxybenzene;2,4-dichloro-5-fluoropyrimidine;2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;[6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl dimethyl phosphate;6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;4-[(4-methoxyphenyl)methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one;2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;3,4,5-trimethoxyaniline?

The InChIKey is TUGIYBXIEMCMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN6O9P.C22H23FN6O5.C17H18N2O3.C13H11ClFN5O2.C9H11N3O2.C9H10N2O2.C9H13NO3.C8H9ClO.C8H8N2O2.C4HCl2FN2/c1-25(2)23(33)32(13-40-42(34,38-6)39-7)22-16(41-25)8-9-19(30-22)29-21-15(26)12-27-24(31-21)28-14-10-17(35-3)20(37-5)18(11-14)36-4;1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4;1-17(2)16(20)19(15-14(22-17)5-4-10-18-15)11-12-6-8-13(21-3)9-7-12;1-13(2)11(21)19-10-7(22-13)3-4-8(18-10)17-9-6(15)5-16-12(14)20-9;1-9(2)8(13)12-7-5(14-9)3-4-6(10)11-7;1-9(2)8(12)11-7-6(13-9)4-3-5-10-7;1-11-7-4-6(10)5-8(12-2)9(7)13-3;1-10-8-4-2-7(6-9)3-5-8;1-5-8(11)10-7-6(12-5)3-2-4-9-7;5-3-2(7)1-8-4(6)9-3/h8-12H,13H2,1-7H3,(H2,27,28,29,30,31);6-10H,1-5H3,(H3,24,25,26,27,28,29,30);4-10H,11H2,1-3H3;3-5H,1-2H3,(H2,16,17,18,19,20,21);3-4H,1-2H3,(H3,10,11,12,13);3-5H,1-2H3,(H,10,11,12);4-5H,10H2,1-3H3;2-5H,6H2,1H3;2-5H,1H3,(H,9,10,11);1H.

What are the key properties of 6-amino-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;1-(chloromethyl)-4-methoxybenzene;2,4-dichloro-5-fluoropyrimidine;2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;[6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl dimethyl phosphate;6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;4-[(4-methoxyphenyl)methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one;2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;3,4,5-trimethoxyaniline?

6-amino-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;1-(chloromethyl)-4-methoxybenzene;2,4-dichloro-5-fluoropyrimidine;2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;[6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl dimethyl phosphate;6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;4-[(4-methoxyphenyl)methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one;2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;3,4,5-trimethoxyaniline has a molecular weight of 2743.39 g/mol, XLogP of 21.76, 29 rotatable bonds, 12 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;1-(chloromethyl)-4-methoxybenzene;2,4-dichloro-5-fluoropyrimidine;2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;[6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl dimethyl phosphate;6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;4-[(4-methoxyphenyl)methyl]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one;2-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;3,4,5-trimethoxyaniline is sourced from PubChem (CID 160988160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).