2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine;7-(2,4-difluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;5-methoxy-6-(4-methylimidazol-1-yl)pyridin-3-amine

C46H43ClF4N14O4 — CID 161224695

About 2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine;7-(2,4-difluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;5-methoxy-6-(4-methylimidazol-1-yl)pyridin-3-amine

2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine;7-(2,4-difluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;5-methoxy-6-(4-methylimidazol-1-yl)pyridin-3-amine (PubChem CID 161224695) has the molecular formula C46H43ClF4N14O4 and a molecular weight of 967.39 g/mol. Its IUPAC name is 2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine;7-(2,4-difluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;5-methoxy-6-(4-methylimidazol-1-yl)pyridin-3-amine.

Molecular Properties

• Compound Name: 2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine;7-(2,4-difluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;5-methoxy-6-(4-methylimidazol-1-yl)pyridin-3-amine
• PubChem CID: 161224695
• Molecular Formula: C46H43ClF4N14O4
• Molecular Weight: 967.39 g/mol
• Exact Mass: 966.32
• IUPAC Name: 2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine;7-(2,4-difluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;5-methoxy-6-(4-methylimidazol-1-yl)pyridin-3-amine
• SMILES: CN1c2nc(Cl)ncc2OCC1c1ccc(F)cc1F.COc1cc(N)cnc1-n1cnc(C)c1.COc1cc(Nc2ncc3c(n2)N(C)C(c2ccc(F)cc2F)CO3)cnc1-n1cnc(C)c1
• InChI: InChI=1S/C23H21F2N7O2.C13H10ClF2N3O.C10H12N4O/c1-13-10-32(12-28-13)21-19(33-3)7-15(8-26-21)29-23-27-9-20-22(30-23)31(2)18(11-34-20)16-5-4-14(24)6-17(16)25;1-19-10(8-3-2-7(15)4-9(8)16)6-20-11-5-17-13(14)18-12(11)19;1-7-5-14(6-13-7)10-9(15-2)3-8(11)4-12-10/h4-10,12,18H,11H2,1-3H3,(H,27,29,30);2-5,10H,6H2,1H3;3-6H,11H2,1-2H3
• InChIKey: UXYRTHOALPTZRA-UHFFFAOYSA-N
• XLogP: 8.11
• TPSA: 194.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	967.39
LogP ≤ 5	8.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine;7-(2,4-difluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;5-methoxy-6-(4-methylimidazol-1-yl)pyridin-3-amine?

The IUPAC name of 2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine;7-(2,4-difluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;5-methoxy-6-(4-methylimidazol-1-yl)pyridin-3-amine (CID 161224695) is 2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine;7-(2,4-difluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;5-methoxy-6-(4-methylimidazol-1-yl)pyridin-3-amine.

What is the SMILES notation for 2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine;7-(2,4-difluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;5-methoxy-6-(4-methylimidazol-1-yl)pyridin-3-amine?

The canonical SMILES for 2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine;7-(2,4-difluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;5-methoxy-6-(4-methylimidazol-1-yl)pyridin-3-amine is CN1c2nc(Cl)ncc2OCC1c1ccc(F)cc1F.COc1cc(N)cnc1-n1cnc(C)c1.COc1cc(Nc2ncc3c(n2)N(C)C(c2ccc(F)cc2F)CO3)cnc1-n1cnc(C)c1.

What is the InChIKey of 2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine;7-(2,4-difluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;5-methoxy-6-(4-methylimidazol-1-yl)pyridin-3-amine?

The InChIKey is UXYRTHOALPTZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7O2.C13H10ClF2N3O.C10H12N4O/c1-13-10-32(12-28-13)21-19(33-3)7-15(8-26-21)29-23-27-9-20-22(30-23)31(2)18(11-34-20)16-5-4-14(24)6-17(16)25;1-19-10(8-3-2-7(15)4-9(8)16)6-20-11-5-17-13(14)18-12(11)19;1-7-5-14(6-13-7)10-9(15-2)3-8(11)4-12-10/h4-10,12,18H,11H2,1-3H3,(H,27,29,30);2-5,10H,6H2,1H3;3-6H,11H2,1-2H3.

What are the key properties of 2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine;7-(2,4-difluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;5-methoxy-6-(4-methylimidazol-1-yl)pyridin-3-amine?

2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine;7-(2,4-difluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;5-methoxy-6-(4-methylimidazol-1-yl)pyridin-3-amine has a molecular weight of 967.39 g/mol, XLogP of 8.11, 8 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-7-(2,4-difluorophenyl)-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazine;7-(2,4-difluorophenyl)-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;5-methoxy-6-(4-methylimidazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 161224695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).