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

C18H12F5N7O — CID 118095500

IUPAC2-N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)n1
InChIInChI=1S/C18H12F5N7O/c19-15(20)31-10-6-4-9(5-7-10)25-17-28-14(27-16(24)29-17)12-13(18(21,22)23)26-11-3-1-2-8-30(11)12/h1-8,15H,(H3,24,25,27,28,29)
InChIKeyFBUUSPIDDQJRFT-UHFFFAOYSA-N
MW437.33 g/mol
LogP4.13
Rot. Bonds5

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

2-N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 118095500) has the molecular formula C18H12F5N7O and a molecular weight of 437.33 g/mol. Its IUPAC name is 2-N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine
PubChem CID118095500
Molecular FormulaC18H12F5N7O
Molecular Weight437.33 g/mol
Exact Mass437.10
IUPAC Name2-N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)n1
InChIInChI=1S/C18H12F5N7O/c19-15(20)31-10-6-4-9(5-7-10)25-17-28-14(27-16(24)29-17)12-13(18(21,22)23)26-11-3-1-2-8-30(11)12/h1-8,15H,(H3,24,25,27,28,29)
InChIKeyFBUUSPIDDQJRFT-UHFFFAOYSA-N
XLogP4.13
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.33
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(difluoromethoxy)phenyl]-6-[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-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine (CID 118095500) is 2-N-[4-(difluoromethoxy)phenyl]-6-[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-[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-[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)nc3ccccn23)n1.
What is the InChIKey of 2-N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is FBUUSPIDDQJRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5N7O/c19-15(20)31-10-6-4-9(5-7-10)25-17-28-14(27-16(24)29-17)12-13(18(21,22)23)26-11-3-1-2-8-30(11)12/h1-8,15H,(H3,24,25,27,28,29).
What are the key properties of 2-N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine?
2-N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 437.33 g/mol, XLogP of 4.13, 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-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 118095500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).