4-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile

C14H11F3N4O — CID 1483231

IUPAC4-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
SMILESCCNc1nc(Oc2ccc(C#N)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H11F3N4O/c1-2-19-13-20-11(14(15,16)17)7-12(21-13)22-10-5-3-9(8-18)4-6-10/h3-7H,2H2,1H3,(H,19,20,21)
InChIKeyYEFOULXTEPDXIX-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.59
Rot. Bonds4

About 4-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile

4-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile (PubChem CID 1483231) has the molecular formula C14H11F3N4O and a molecular weight of 308.26 g/mol. Its IUPAC name is 4-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
PubChem CID1483231
Molecular FormulaC14H11F3N4O
Molecular Weight308.26 g/mol
Exact Mass308.09
IUPAC Name4-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
SMILESCCNc1nc(Oc2ccc(C#N)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H11F3N4O/c1-2-19-13-20-11(14(15,16)17)7-12(21-13)22-10-5-3-9(8-18)4-6-10/h3-7H,2H2,1H3,(H,19,20,21)
InChIKeyYEFOULXTEPDXIX-UHFFFAOYSA-N
XLogP3.59
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-{2-Methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzonitrile
CID 11660493
N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(4-methoxyphenyl)ethyl]guanidine
CID 3013233
(4,6-Dimethyl-pyrimidin-2-yl)-(4-methoxy-benzyl)-cyanamide
CID 3152233
4-{[2-(2-Pyridinyl)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile
CID 1478442
4-((2-(Benzylamino)-6-methylpyrimidin-4-yl)oxy)benzonitrile
CID 1927680
2-(Methylsulfanyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 1475000
N-benzyl-4-cyclohexyloxy-6-methylpyrimidin-2-amine
CID 697245
4-({6-Amino-2-[(4-cyanophenyl)amino]pyrimidin-4-YL}oxy)-3,5-dimethylbenzonitrile
CID 486367
N-benzyl-4-methyl-6-phenoxypyrimidin-2-amine
CID 697240
N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 697244
4-(4-Ethylphenoxy)-6-methylpyrimidin-2-amine
CID 830665
4-(6-Methyl-2-morpholin-4-yl-pyrimidin-4-yloxy)-benzonitrile
CID 921904

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile?
The IUPAC name of 4-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile (CID 1483231) is 4-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 4-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile?
The canonical SMILES for 4-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile is CCNc1nc(Oc2ccc(C#N)cc2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile?
The InChIKey is YEFOULXTEPDXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O/c1-2-19-13-20-11(14(15,16)17)7-12(21-13)22-10-5-3-9(8-18)4-6-10/h3-7H,2H2,1H3,(H,19,20,21).
What are the key properties of 4-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile?
4-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile has a molecular weight of 308.26 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 1483231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).