2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]methyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine

C25H23F3N8O2 — CID 171760202

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]methyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]methyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine (PubChem CID 171760202) has the molecular formula C25H23F3N8O2 and a molecular weight of 524.51 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]methyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine.

Molecular Properties

• Compound Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]methyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine
• PubChem CID: 171760202
• Molecular Formula: C25H23F3N8O2
• Molecular Weight: 524.51 g/mol
• Exact Mass: 524.19
• IUPAC Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]methyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine
• SMILES: COc1ncnc(C2CC2)c1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cn1)CCO2
• InChI: InChI=1S/C25H23F3N8O2/c1-35-12-18(25(26,27)28)33-22(35)15-5-6-16(29-9-15)11-36-7-8-38-17-10-30-21(34-23(17)36)19-20(14-3-4-14)31-13-32-24(19)37-2/h5-6,9-10,12-14H,3-4,7-8,11H2,1-2H3
• InChIKey: FFWYCOWDAROIIY-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 103.97 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.51
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]methyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine?

The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]methyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine (CID 171760202) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]methyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine.

What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]methyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine?

The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]methyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine is COc1ncnc(C2CC2)c1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cn1)CCO2.

What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]methyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine?

The InChIKey is FFWYCOWDAROIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N8O2/c1-35-12-18(25(26,27)28)33-22(35)15-5-6-16(29-9-15)11-36-7-8-38-17-10-30-21(34-23(17)36)19-20(14-3-4-14)31-13-32-24(19)37-2/h5-6,9-10,12-14H,3-4,7-8,11H2,1-2H3.

What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]methyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine?

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]methyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine has a molecular weight of 524.51 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]methyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazine is sourced from PubChem (CID 171760202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).