2-N-(5-fluoro-3-pyridinyl)-4-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine

C19H17F4N7O — CID 152753865

About 2-N-(5-fluoro-3-pyridinyl)-4-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine

2-N-(5-fluoro-3-pyridinyl)-4-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine (PubChem CID 152753865) has the molecular formula C19H17F4N7O and a molecular weight of 435.39 g/mol. Its IUPAC name is 2-N-(5-fluoro-3-pyridinyl)-4-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-(5-fluoro-3-pyridinyl)-4-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
• PubChem CID: 152753865
• Molecular Formula: C19H17F4N7O
• Molecular Weight: 435.39 g/mol
• Exact Mass: 435.14
• IUPAC Name: 2-N-(5-fluoro-3-pyridinyl)-4-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
• SMILES: NC1(C2C3COCC32)N=C(Nc2cncc(F)c2)NC(c2cccc(C(F)(F)F)n2)=N1
• InChI: InChI=1S/C19H17F4N7O/c20-9-4-10(6-25-5-9)26-17-28-16(13-2-1-3-14(27-13)18(21,22)23)29-19(24,30-17)15-11-7-31-8-12(11)15/h1-6,11-12,15H,7-8,24H2,(H2,26,28,29,30)
• InChIKey: LRHGNGFWSINWFI-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 109.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.39
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-fluoro-3-pyridinyl)-4-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N-(5-fluoro-3-pyridinyl)-4-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine (CID 152753865) is 2-N-(5-fluoro-3-pyridinyl)-4-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-N-(5-fluoro-3-pyridinyl)-4-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-N-(5-fluoro-3-pyridinyl)-4-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine is NC1(C2C3COCC32)N=C(Nc2cncc(F)c2)NC(c2cccc(C(F)(F)F)n2)=N1.

What is the InChIKey of 2-N-(5-fluoro-3-pyridinyl)-4-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine?

The InChIKey is LRHGNGFWSINWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N7O/c20-9-4-10(6-25-5-9)26-17-28-16(13-2-1-3-14(27-13)18(21,22)23)29-19(24,30-17)15-11-7-31-8-12(11)15/h1-6,11-12,15H,7-8,24H2,(H2,26,28,29,30).

What are the key properties of 2-N-(5-fluoro-3-pyridinyl)-4-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine?

2-N-(5-fluoro-3-pyridinyl)-4-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine has a molecular weight of 435.39 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(5-fluoro-3-pyridinyl)-4-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 152753865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).