N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-8-[4-methyl-2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

C24H20F4N6O — CID 144841193

About N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-8-[4-methyl-2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-8-[4-methyl-2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 144841193) has the molecular formula C24H20F4N6O and a molecular weight of 484.46 g/mol. Its IUPAC name is N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-8-[4-methyl-2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

• Compound Name: N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-8-[4-methyl-2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
• PubChem CID: 144841193
• Molecular Formula: C24H20F4N6O
• Molecular Weight: 484.46 g/mol
• Exact Mass: 484.16
• IUPAC Name: N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-8-[4-methyl-2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
• SMILES: Cc1ccc(N2CCOc3cnc(Nc4ccc(-n5cnc(C)c5)c(F)c4)nc32)c(C(F)(F)F)c1
• InChI: InChI=1S/C24H20F4N6O/c1-14-3-5-19(17(9-14)24(26,27)28)34-7-8-35-21-11-29-23(32-22(21)34)31-16-4-6-20(18(25)10-16)33-12-15(2)30-13-33/h3-6,9-13H,7-8H2,1-2H3,(H,29,31,32)
• InChIKey: RGPPHYIUHPHUPI-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 68.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.46
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-8-[4-methyl-2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 144841193) is N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-8-[4-methyl-2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

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

The canonical SMILES for N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-8-[4-methyl-2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is Cc1ccc(N2CCOc3cnc(Nc4ccc(-n5cnc(C)c5)c(F)c4)nc32)c(C(F)(F)F)c1.

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

The InChIKey is RGPPHYIUHPHUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N6O/c1-14-3-5-19(17(9-14)24(26,27)28)34-7-8-35-21-11-29-23(32-22(21)34)31-16-4-6-20(18(25)10-16)33-12-15(2)30-13-33/h3-6,9-13H,7-8H2,1-2H3,(H,29,31,32).

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

N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-8-[4-methyl-2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 484.46 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-8-[4-methyl-2-(trifluoromethyl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 144841193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).