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

C23H21F2N7O2 — CID 118245962

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

7-(3,5-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 118245962) has the molecular formula C23H21F2N7O2 and a molecular weight of 465.46 g/mol. Its IUPAC name is 7-(3,5-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

• Compound Name: 7-(3,5-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
• PubChem CID: 118245962
• Molecular Formula: C23H21F2N7O2
• Molecular Weight: 465.46 g/mol
• Exact Mass: 465.17
• IUPAC Name: 7-(3,5-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
• SMILES: COc1nc(Nc2ncc3c(n2)N(C)C(c2cc(F)cc(F)c2)CO3)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C23H21F2N7O2/c1-13-10-32(12-27-13)17-4-5-20(28-22(17)33-3)29-23-26-9-19-21(30-23)31(2)18(11-34-19)14-6-15(24)8-16(25)7-14/h4-10,12,18H,11H2,1-3H3,(H,26,28,29,30)
• InChIKey: OVCSGNHNEJUROH-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 90.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.46
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 7-(3,5-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 118245962) is 7-(3,5-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

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

The canonical SMILES for 7-(3,5-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is COc1nc(Nc2ncc3c(n2)N(C)C(c2cc(F)cc(F)c2)CO3)ccc1-n1cnc(C)c1.

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

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

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

7-(3,5-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 465.46 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,5-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 118245962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).