2-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]oxy-6-fluorobenzonitrile

C14H10F4N4O — CID 133391543

IUPAC2-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]oxy-6-fluorobenzonitrile
SMILESCN(C)c1cc(C(F)(F)F)nc(Oc2cccc(F)c2C#N)n1
InChIInChI=1S/C14H10F4N4O/c1-22(2)12-6-11(14(16,17)18)20-13(21-12)23-10-5-3-4-9(15)8(10)7-19/h3-6H,1-2H3
InChIKeyCLFTVEFRXJCUFV-UHFFFAOYSA-N
MW326.25 g/mol
LogP3.36
Rot. Bonds3

About 2-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]oxy-6-fluorobenzonitrile

2-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]oxy-6-fluorobenzonitrile (PubChem CID 133391543) has the molecular formula C14H10F4N4O and a molecular weight of 326.25 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]oxy-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]oxy-6-fluorobenzonitrile
PubChem CID133391543
Molecular FormulaC14H10F4N4O
Molecular Weight326.25 g/mol
Exact Mass326.08
IUPAC Name2-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]oxy-6-fluorobenzonitrile
SMILESCN(C)c1cc(C(F)(F)F)nc(Oc2cccc(F)c2C#N)n1
InChIInChI=1S/C14H10F4N4O/c1-22(2)12-6-11(14(16,17)18)20-13(21-12)23-10-5-3-4-9(15)8(10)7-19/h3-6H,1-2H3
InChIKeyCLFTVEFRXJCUFV-UHFFFAOYSA-N
XLogP3.36
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]oxy-6-fluorobenzonitrile?
The IUPAC name of 2-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]oxy-6-fluorobenzonitrile (CID 133391543) is 2-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]oxy-6-fluorobenzonitrile.
What is the SMILES notation for 2-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]oxy-6-fluorobenzonitrile?
The canonical SMILES for 2-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]oxy-6-fluorobenzonitrile is CN(C)c1cc(C(F)(F)F)nc(Oc2cccc(F)c2C#N)n1.
What is the InChIKey of 2-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]oxy-6-fluorobenzonitrile?
The InChIKey is CLFTVEFRXJCUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N4O/c1-22(2)12-6-11(14(16,17)18)20-13(21-12)23-10-5-3-4-9(15)8(10)7-19/h3-6H,1-2H3.
What are the key properties of 2-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]oxy-6-fluorobenzonitrile?
2-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]oxy-6-fluorobenzonitrile has a molecular weight of 326.25 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]oxy-6-fluorobenzonitrile is sourced from PubChem (CID 133391543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).