3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C17H17F7N6O3 — CID 139509313

About 3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 139509313) has the molecular formula C17H17F7N6O3 and a molecular weight of 486.35 g/mol. Its IUPAC name is 3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
• PubChem CID: 139509313
• Molecular Formula: C17H17F7N6O3
• Molecular Weight: 486.35 g/mol
• Exact Mass: 486.13
• IUPAC Name: 3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
• SMILES: CC1COCCN1c1nc2n(c(=O)c1F)CCC(C(F)(F)F)N2Cc1nc(C(F)(F)F)no1
• InChI: InChI=1S/C17H17F7N6O3/c1-8-7-32-5-4-28(8)12-11(18)13(31)29-3-2-9(16(19,20)21)30(15(29)26-12)6-10-25-14(27-33-10)17(22,23)24/h8-9H,2-7H2,1H3
• InChIKey: RLSKLTSVQNFJIK-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 89.52 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.35
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?

The IUPAC name of 3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 139509313) is 3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is CC1COCCN1c1nc2n(c(=O)c1F)CCC(C(F)(F)F)N2Cc1nc(C(F)(F)F)no1.

What is the InChIKey of 3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?

The InChIKey is RLSKLTSVQNFJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F7N6O3/c1-8-7-32-5-4-28(8)12-11(18)13(31)29-3-2-9(16(19,20)21)30(15(29)26-12)6-10-25-14(27-33-10)17(22,23)24/h8-9H,2-7H2,1H3.

What are the key properties of 3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?

3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 486.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 139509313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).