5,6-dimethyl-3-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrimidin-4-one

C17H19F3N6O2 — CID 91631513

About 5,6-dimethyl-3-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrimidin-4-one

5,6-dimethyl-3-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrimidin-4-one (PubChem CID 91631513) has the molecular formula C17H19F3N6O2 and a molecular weight of 396.37 g/mol. Its IUPAC name is 5,6-dimethyl-3-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrimidin-4-one.

Molecular Properties

• Compound Name: 5,6-dimethyl-3-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrimidin-4-one
• PubChem CID: 91631513
• Molecular Formula: C17H19F3N6O2
• Molecular Weight: 396.37 g/mol
• Exact Mass: 396.15
• IUPAC Name: 5,6-dimethyl-3-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrimidin-4-one
• SMILES: Cc1ncn(CC(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)c(=O)c1C
• InChI: InChI=1S/C17H19F3N6O2/c1-11-12(2)23-10-26(16(11)28)8-15(27)25-5-3-24(4-6-25)14-7-13(17(18,19)20)21-9-22-14/h7,9-10H,3-6,8H2,1-2H3
• InChIKey: DXCNLFYNXZUFHN-UHFFFAOYSA-N
• XLogP: 1.02
• TPSA: 84.22 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.37
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrimidin-4-one?

The IUPAC name of 5,6-dimethyl-3-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrimidin-4-one (CID 91631513) is 5,6-dimethyl-3-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrimidin-4-one.

What is the SMILES notation for 5,6-dimethyl-3-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrimidin-4-one?

The canonical SMILES for 5,6-dimethyl-3-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrimidin-4-one is Cc1ncn(CC(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)c(=O)c1C.

What is the InChIKey of 5,6-dimethyl-3-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrimidin-4-one?

The InChIKey is DXCNLFYNXZUFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6O2/c1-11-12(2)23-10-26(16(11)28)8-15(27)25-5-3-24(4-6-25)14-7-13(17(18,19)20)21-9-22-14/h7,9-10H,3-6,8H2,1-2H3.

What are the key properties of 5,6-dimethyl-3-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrimidin-4-one?

5,6-dimethyl-3-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrimidin-4-one has a molecular weight of 396.37 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-dimethyl-3-[2-oxo-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrimidin-4-one is sourced from PubChem (CID 91631513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).