tert-butyl 4-[4-(4-carbamoyl-2-chloroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-methoxycarbonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;3-chloro-4-[[8-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-yl]amino]benzoic acid;propan-2-yl 4-[4-[2-chloro-4-(dimethylcarbamoyl)anilino]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-difluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(3-fluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate

C183H229Cl8F3N42O36S2 — CID 159729019

About tert-butyl 4-[4-(4-carbamoyl-2-chloroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-methoxycarbonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;3-chloro-4-[[8-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-yl]amino]benzoic acid;propan-2-yl 4-[4-[2-chloro-4-(dimethylcarbamoyl)anilino]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-difluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(3-fluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate

tert-butyl 4-[4-(4-carbamoyl-2-chloroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-methoxycarbonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;3-chloro-4-[[8-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-yl]amino]benzoic acid;propan-2-yl 4-[4-[2-chloro-4-(dimethylcarbamoyl)anilino]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-difluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(3-fluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate (PubChem CID 159729019) has the molecular formula C183H229Cl8F3N42O36S2 and a molecular weight of 3997.85 g/mol. Its IUPAC name is tert-butyl 4-[4-(4-carbamoyl-2-chloroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-methoxycarbonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;3-chloro-4-[[8-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-yl]amino]benzoic acid;propan-2-yl 4-[4-[2-chloro-4-(dimethylcarbamoyl)anilino]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-difluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(3-fluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[4-(4-carbamoyl-2-chloroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-methoxycarbonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;3-chloro-4-[[8-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-yl]amino]benzoic acid;propan-2-yl 4-[4-[2-chloro-4-(dimethylcarbamoyl)anilino]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-difluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(3-fluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate
• PubChem CID: 159729019
• Molecular Formula: C183H229Cl8F3N42O36S2
• Molecular Weight: 3997.85 g/mol
• Exact Mass: 3991.43
• IUPAC Name: tert-butyl 4-[4-(4-carbamoyl-2-chloroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-methoxycarbonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;3-chloro-4-[[8-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-yl]amino]benzoic acid;propan-2-yl 4-[4-[2-chloro-4-(dimethylcarbamoyl)anilino]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-difluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(3-fluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC(N2CCOc3c(Nc4c(Cl)cc(S(C)(=O)=O)cc4Cl)ncnc32)CC1.CC(C)(C)OC(=O)N1CCC(N2CCOc3c(Nc4ccc(C(=O)O)cc4Cl)ncnc32)CC1.CC(C)(C)OC(=O)N1CCC(N2CCOc3c(Nc4ccc(C(N)=O)cc4Cl)ncnc32)CC1.CC(C)OC(=O)N1CCC(N2CCOc3c(Nc4c(Cl)cc(S(C)(=O)=O)cc4Cl)ncnc32)CC1.CC(C)OC(=O)N1CCC(N2CCOc3c(Nc4ccc(C(=O)N(C)C)cc4Cl)ncnc32)CC1.COC(=O)c1ccc(Nc2ncnc3c2OCCN3C2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1.COc1cc(F)c(Nc2ncnc3c2OCCN3C2CCN(C(=O)OC(C)C)CC2)c(F)c1.COc1ccc(Nc2ncnc3c2OCCN3C2CCN(C(=O)OC(C)C)CC2)cc1F
• InChI: InChI=1S/C24H31ClN6O4.C24H30ClN5O5.C23H29Cl2N5O5S.C23H29ClN6O4.C23H28ClN5O5.C22H27Cl2N5O5S.C22H27F2N5O4.C22H28FN5O4/c1-15(2)35-24(33)30-9-7-17(8-10-30)31-11-12-34-20-21(26-14-27-22(20)31)28-19-6-5-16(13-18(19)25)23(32)29(3)4;1-24(2,3)35-23(32)29-9-7-16(8-10-29)30-11-12-34-19-20(26-14-27-21(19)30)28-18-6-5-15(13-17(18)25)22(31)33-4;1-23(2,3)35-22(31)29-7-5-14(6-8-29)30-9-10-34-19-20(26-13-27-21(19)30)28-18-16(24)11-15(12-17(18)25)36(4,32)33;1-23(2,3)34-22(32)29-8-6-15(7-9-29)30-10-11-33-18-20(26-13-27-21(18)30)28-17-5-4-14(19(25)31)12-16(17)24;1-23(2,3)34-22(32)28-8-6-15(7-9-28)29-10-11-33-18-19(25-13-26-20(18)29)27-17-5-4-14(21(30)31)12-16(17)24;1-13(2)34-22(30)28-6-4-14(5-7-28)29-8-9-33-19-20(25-12-26-21(19)29)27-18-16(23)10-15(11-17(18)24)35(3,31)32;1-13(2)33-22(30)28-6-4-14(5-7-28)29-8-9-32-19-20(25-12-26-21(19)29)27-18-16(23)10-15(31-3)11-17(18)24;1-14(2)32-22(29)27-8-6-16(7-9-27)28-10-11-31-19-20(24-13-25-21(19)28)26-15-4-5-18(30-3)17(23)12-15/h5-6,13-15,17H,7-12H2,1-4H3,(H,26,27,28);5-6,13-14,16H,7-12H2,1-4H3,(H,26,27,28);11-14H,5-10H2,1-4H3,(H,26,27,28);4-5,12-13,15H,6-11H2,1-3H3,(H2,25,31)(H,26,27,28);4-5,12-13,15H,6-11H2,1-3H3,(H,30,31)(H,25,26,27);10-14H,4-9H2,1-3H3,(H,25,26,27);10-14H,4-9H2,1-3H3,(H,25,26,27);4-5,12-14,16H,6-11H2,1-3H3,(H,24,25,26)
• InChIKey: NAZQVFQFENZQLQ-UHFFFAOYSA-N
• XLogP: 31.74
• TPSA: 852.30 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 67
• Rotatable Bonds: 36
• Heavy Atoms: 274
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3997.85
LogP ≤ 5	31.74
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	67

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(4-carbamoyl-2-chloroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-methoxycarbonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;3-chloro-4-[[8-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-yl]amino]benzoic acid;propan-2-yl 4-[4-[2-chloro-4-(dimethylcarbamoyl)anilino]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-difluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(3-fluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[4-(4-carbamoyl-2-chloroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-methoxycarbonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;3-chloro-4-[[8-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-yl]amino]benzoic acid;propan-2-yl 4-[4-[2-chloro-4-(dimethylcarbamoyl)anilino]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-difluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(3-fluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate (CID 159729019) is tert-butyl 4-[4-(4-carbamoyl-2-chloroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-methoxycarbonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;3-chloro-4-[[8-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-yl]amino]benzoic acid;propan-2-yl 4-[4-[2-chloro-4-(dimethylcarbamoyl)anilino]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-difluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(3-fluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[4-(4-carbamoyl-2-chloroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-methoxycarbonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;3-chloro-4-[[8-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-yl]amino]benzoic acid;propan-2-yl 4-[4-[2-chloro-4-(dimethylcarbamoyl)anilino]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-difluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(3-fluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[4-(4-carbamoyl-2-chloroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-methoxycarbonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;3-chloro-4-[[8-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-yl]amino]benzoic acid;propan-2-yl 4-[4-[2-chloro-4-(dimethylcarbamoyl)anilino]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-difluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(3-fluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2CCOc3c(Nc4c(Cl)cc(S(C)(=O)=O)cc4Cl)ncnc32)CC1.CC(C)(C)OC(=O)N1CCC(N2CCOc3c(Nc4ccc(C(=O)O)cc4Cl)ncnc32)CC1.CC(C)(C)OC(=O)N1CCC(N2CCOc3c(Nc4ccc(C(N)=O)cc4Cl)ncnc32)CC1.CC(C)OC(=O)N1CCC(N2CCOc3c(Nc4c(Cl)cc(S(C)(=O)=O)cc4Cl)ncnc32)CC1.CC(C)OC(=O)N1CCC(N2CCOc3c(Nc4ccc(C(=O)N(C)C)cc4Cl)ncnc32)CC1.COC(=O)c1ccc(Nc2ncnc3c2OCCN3C2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1.COc1cc(F)c(Nc2ncnc3c2OCCN3C2CCN(C(=O)OC(C)C)CC2)c(F)c1.COc1ccc(Nc2ncnc3c2OCCN3C2CCN(C(=O)OC(C)C)CC2)cc1F.

What is the InChIKey of tert-butyl 4-[4-(4-carbamoyl-2-chloroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-methoxycarbonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;3-chloro-4-[[8-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-yl]amino]benzoic acid;propan-2-yl 4-[4-[2-chloro-4-(dimethylcarbamoyl)anilino]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-difluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(3-fluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate?

The InChIKey is NAZQVFQFENZQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN6O4.C24H30ClN5O5.C23H29Cl2N5O5S.C23H29ClN6O4.C23H28ClN5O5.C22H27Cl2N5O5S.C22H27F2N5O4.C22H28FN5O4/c1-15(2)35-24(33)30-9-7-17(8-10-30)31-11-12-34-20-21(26-14-27-22(20)31)28-19-6-5-16(13-18(19)25)23(32)29(3)4;1-24(2,3)35-23(32)29-9-7-16(8-10-29)30-11-12-34-19-20(26-14-27-21(19)30)28-18-6-5-15(13-17(18)25)22(31)33-4;1-23(2,3)35-22(31)29-7-5-14(6-8-29)30-9-10-34-19-20(26-13-27-21(19)30)28-18-16(24)11-15(12-17(18)25)36(4,32)33;1-23(2,3)34-22(32)29-8-6-15(7-9-29)30-10-11-33-18-20(26-13-27-21(18)30)28-17-5-4-14(19(25)31)12-16(17)24;1-23(2,3)34-22(32)28-8-6-15(7-9-28)29-10-11-33-18-19(25-13-26-20(18)29)27-17-5-4-14(21(30)31)12-16(17)24;1-13(2)34-22(30)28-6-4-14(5-7-28)29-8-9-33-19-20(25-12-26-21(19)29)27-18-16(23)10-15(11-17(18)24)35(3,31)32;1-13(2)33-22(30)28-6-4-14(5-7-28)29-8-9-32-19-20(25-12-26-21(19)29)27-18-16(23)10-15(31-3)11-17(18)24;1-14(2)32-22(29)27-8-6-16(7-9-27)28-10-11-31-19-20(24-13-25-21(19)28)26-15-4-5-18(30-3)17(23)12-15/h5-6,13-15,17H,7-12H2,1-4H3,(H,26,27,28);5-6,13-14,16H,7-12H2,1-4H3,(H,26,27,28);11-14H,5-10H2,1-4H3,(H,26,27,28);4-5,12-13,15H,6-11H2,1-3H3,(H2,25,31)(H,26,27,28);4-5,12-13,15H,6-11H2,1-3H3,(H,30,31)(H,25,26,27);10-14H,4-9H2,1-3H3,(H,25,26,27);10-14H,4-9H2,1-3H3,(H,25,26,27);4-5,12-14,16H,6-11H2,1-3H3,(H,24,25,26).

What are the key properties of tert-butyl 4-[4-(4-carbamoyl-2-chloroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-methoxycarbonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;3-chloro-4-[[8-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-yl]amino]benzoic acid;propan-2-yl 4-[4-[2-chloro-4-(dimethylcarbamoyl)anilino]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-difluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(3-fluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate?

tert-butyl 4-[4-(4-carbamoyl-2-chloroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-methoxycarbonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;3-chloro-4-[[8-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-yl]amino]benzoic acid;propan-2-yl 4-[4-[2-chloro-4-(dimethylcarbamoyl)anilino]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-difluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(3-fluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate has a molecular weight of 3997.85 g/mol, XLogP of 31.74, 36 rotatable bonds, 10 hydrogen bond donors, and 67 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-(4-carbamoyl-2-chloroanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-chloro-4-methoxycarbonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;3-chloro-4-[[8-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-yl]amino]benzoic acid;propan-2-yl 4-[4-[2-chloro-4-(dimethylcarbamoyl)anilino]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-dichloro-4-methylsulfonylanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(2,6-difluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-(3-fluoro-4-methoxyanilino)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate is sourced from PubChem (CID 159729019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).