3,3,3-trifluoro-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]propan-1-one

C17H19F3N6O — CID 122349602

About 3,3,3-trifluoro-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]propan-1-one

3,3,3-trifluoro-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]propan-1-one (PubChem CID 122349602) has the molecular formula C17H19F3N6O and a molecular weight of 380.37 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3,3,3-trifluoro-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
• PubChem CID: 122349602
• Molecular Formula: C17H19F3N6O
• Molecular Weight: 380.37 g/mol
• Exact Mass: 380.16
• IUPAC Name: 3,3,3-trifluoro-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
• SMILES: Cc1ccnc(Nc2cc(N3CCN(C(=O)CC(F)(F)F)CC3)ncn2)c1
• InChI: InChI=1S/C17H19F3N6O/c1-12-2-3-21-13(8-12)24-14-9-15(23-11-22-14)25-4-6-26(7-5-25)16(27)10-17(18,19)20/h2-3,8-9,11H,4-7,10H2,1H3,(H,21,22,23,24)
• InChIKey: UVNJCNPUUWKENE-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.37
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?

The IUPAC name of 3,3,3-trifluoro-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]propan-1-one (CID 122349602) is 3,3,3-trifluoro-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]propan-1-one.

What is the SMILES notation for 3,3,3-trifluoro-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?

The canonical SMILES for 3,3,3-trifluoro-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]propan-1-one is Cc1ccnc(Nc2cc(N3CCN(C(=O)CC(F)(F)F)CC3)ncn2)c1.

What is the InChIKey of 3,3,3-trifluoro-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?

The InChIKey is UVNJCNPUUWKENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6O/c1-12-2-3-21-13(8-12)24-14-9-15(23-11-22-14)25-4-6-26(7-5-25)16(27)10-17(18,19)20/h2-3,8-9,11H,4-7,10H2,1H3,(H,21,22,23,24).

What are the key properties of 3,3,3-trifluoro-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?

3,3,3-trifluoro-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]propan-1-one has a molecular weight of 380.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,3-trifluoro-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 122349602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).