2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine

C18H11F6N7O — CID 118095549

About 2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine

2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 118095549) has the molecular formula C18H11F6N7O and a molecular weight of 455.32 g/mol. Its IUPAC name is 2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 118095549
• Molecular Formula: C18H11F6N7O
• Molecular Weight: 455.32 g/mol
• Exact Mass: 455.09
• IUPAC Name: 2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine
• SMILES: Nc1nc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)n1
• InChI: InChI=1S/C18H11F6N7O/c19-8-1-6-11-27-13(18(22,23)24)12(31(11)7-8)14-28-16(25)30-17(29-14)26-9-2-4-10(5-3-9)32-15(20)21/h1-7,15H,(H3,25,26,28,29,30)
• InChIKey: IFEWMABTPJNFBQ-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 103.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.32
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine (CID 118095549) is 2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine is Nc1nc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)n1.

What is the InChIKey of 2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine?

The InChIKey is IFEWMABTPJNFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6N7O/c19-8-1-6-11-27-13(18(22,23)24)12(31(11)7-8)14-28-16(25)30-17(29-14)26-9-2-4-10(5-3-9)32-15(20)21/h1-7,15H,(H3,25,26,28,29,30).

What are the key properties of 2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine?

2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 455.32 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 118095549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).