4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine

C19H17F4N7 — CID 161363969

About 4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine

4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine (PubChem CID 161363969) has the molecular formula C19H17F4N7 and a molecular weight of 419.39 g/mol. Its IUPAC name is 4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: 4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine
• PubChem CID: 161363969
• Molecular Formula: C19H17F4N7
• Molecular Weight: 419.39 g/mol
• Exact Mass: 419.15
• IUPAC Name: 4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine
• SMILES: Cc1cccc(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(N3CC(C)(F)C3)n2)n1
• InChI: InChI=1S/C19H17F4N7/c1-11-4-3-5-13(25-11)15-27-16(29-17(28-15)30-9-18(2,20)10-30)26-12-6-7-24-14(8-12)19(21,22)23/h3-8H,9-10H2,1-2H3,(H,24,26,27,28,29)
• InChIKey: ORUJWIOEOVEFGE-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 79.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.39
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine?

The IUPAC name of 4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine (CID 161363969) is 4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine.

What is the SMILES notation for 4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine?

The canonical SMILES for 4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine is Cc1cccc(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(N3CC(C)(F)C3)n2)n1.

What is the InChIKey of 4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine?

The InChIKey is ORUJWIOEOVEFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N7/c1-11-4-3-5-13(25-11)15-27-16(29-17(28-15)30-9-18(2,20)10-30)26-12-6-7-24-14(8-12)19(21,22)23/h3-8H,9-10H2,1-2H3,(H,24,26,27,28,29).

What are the key properties of 4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine?

4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine has a molecular weight of 419.39 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 161363969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).