2-chloro-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-amine;N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

C46H41ClF6N14O4 — CID 160879235

About 2-chloro-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-amine;N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

2-chloro-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-amine;N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 160879235) has the molecular formula C46H41ClF6N14O4 and a molecular weight of 1003.37 g/mol. Its IUPAC name is 2-chloro-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-amine;N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

• Compound Name: 2-chloro-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-amine;N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
• PubChem CID: 160879235
• Molecular Formula: C46H41ClF6N14O4
• Molecular Weight: 1003.37 g/mol
• Exact Mass: 1002.30
• IUPAC Name: 2-chloro-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-amine;N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
• SMILES: CN1c2nc(Cl)ncc2OCC1c1cc(F)c(F)cc1F.COc1nc(N)ccc1-n1cnc(C)c1.COc1nc(Nc2ncc3c(n2)N(C)C(c2cc(F)c(F)cc2F)CO3)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C23H20F3N7O2.C13H9ClF3N3O.C10H12N4O/c1-12-9-33(11-28-12)17-4-5-20(29-22(17)34-3)30-23-27-8-19-21(31-23)32(2)18(10-35-19)13-6-15(25)16(26)7-14(13)24;1-20-10(6-2-8(16)9(17)3-7(6)15)5-21-11-4-18-13(14)19-12(11)20;1-7-5-14(6-12-7)8-3-4-9(11)13-10(8)15-2/h4-9,11,18H,10H2,1-3H3,(H,27,29,30,31);2-4,10H,5H2,1H3;3-6H,1-2H3,(H2,11,13)
• InChIKey: SMUXKAIQNXFBRW-UHFFFAOYSA-N
• XLogP: 8.39
• TPSA: 194.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1003.37
LogP ≤ 5	8.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-amine;N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?

The IUPAC name of 2-chloro-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-amine;N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 160879235) is 2-chloro-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-amine;N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

What is the SMILES notation for 2-chloro-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-amine;N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?

The canonical SMILES for 2-chloro-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-amine;N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is CN1c2nc(Cl)ncc2OCC1c1cc(F)c(F)cc1F.COc1nc(N)ccc1-n1cnc(C)c1.COc1nc(Nc2ncc3c(n2)N(C)C(c2cc(F)c(F)cc2F)CO3)ccc1-n1cnc(C)c1.

What is the InChIKey of 2-chloro-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-amine;N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?

The InChIKey is SMUXKAIQNXFBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N7O2.C13H9ClF3N3O.C10H12N4O/c1-12-9-33(11-28-12)17-4-5-20(29-22(17)34-3)30-23-27-8-19-21(31-23)32(2)18(10-35-19)13-6-15(25)16(26)7-14(13)24;1-20-10(6-2-8(16)9(17)3-7(6)15)5-21-11-4-18-13(14)19-12(11)20;1-7-5-14(6-12-7)8-3-4-9(11)13-10(8)15-2/h4-9,11,18H,10H2,1-3H3,(H,27,29,30,31);2-4,10H,5H2,1H3;3-6H,1-2H3,(H2,11,13).

What are the key properties of 2-chloro-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-amine;N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?

2-chloro-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-amine;N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 1003.37 g/mol, XLogP of 8.39, 8 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazine;6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-amine;N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-7-(2,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 160879235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).