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

C23H21F2N7O3 — CID 126569337

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

7-(3,5-difluorophenyl)-8-methoxy-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 126569337) has the molecular formula C23H21F2N7O3 and a molecular weight of 481.46 g/mol. Its IUPAC name is 7-(3,5-difluorophenyl)-8-methoxy-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

• Compound Name: 7-(3,5-difluorophenyl)-8-methoxy-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
• PubChem CID: 126569337
• Molecular Formula: C23H21F2N7O3
• Molecular Weight: 481.46 g/mol
• Exact Mass: 481.17
• IUPAC Name: 7-(3,5-difluorophenyl)-8-methoxy-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
• SMILES: COc1cc(Nc2ncc3c(n2)N(OC)C(c2cc(F)cc(F)c2)CO3)cnc1-n1cnc(C)c1
• InChI: InChI=1S/C23H21F2N7O3/c1-13-10-31(12-28-13)21-19(33-2)7-17(8-26-21)29-23-27-9-20-22(30-23)32(34-3)18(11-35-20)14-4-15(24)6-16(25)5-14/h4-10,12,18H,11H2,1-3H3,(H,27,29,30)
• InChIKey: IPFRMPWPTAGFRN-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 99.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.46
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 7-(3,5-difluorophenyl)-8-methoxy-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 126569337) is 7-(3,5-difluorophenyl)-8-methoxy-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

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

The canonical SMILES for 7-(3,5-difluorophenyl)-8-methoxy-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is COc1cc(Nc2ncc3c(n2)N(OC)C(c2cc(F)cc(F)c2)CO3)cnc1-n1cnc(C)c1.

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

The InChIKey is IPFRMPWPTAGFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7O3/c1-13-10-31(12-28-13)21-19(33-2)7-17(8-26-21)29-23-27-9-20-22(30-23)32(34-3)18(11-35-20)14-4-15(24)6-16(25)5-14/h4-10,12,18H,11H2,1-3H3,(H,27,29,30).

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

7-(3,5-difluorophenyl)-8-methoxy-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 481.46 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,5-difluorophenyl)-8-methoxy-N-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 126569337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).