N-[1-(3-pyrimidin-5-ylphenyl)ethenyl]-4-(trifluoromethoxy)aniline

C19H14F3N3O — CID 130315276

IUPACN-[1-(3-pyrimidin-5-ylphenyl)ethenyl]-4-(trifluoromethoxy)aniline
SMILESC=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2cncnc2)c1
InChIInChI=1S/C19H14F3N3O/c1-13(25-17-5-7-18(8-6-17)26-19(20,21)22)14-3-2-4-15(9-14)16-10-23-12-24-11-16/h2-12,25H,1H2
InChIKeyDQJNDLWHGQXJCA-UHFFFAOYSA-N
MW357.34 g/mol
LogP5.12
Rot. Bonds5

About N-[1-(3-pyrimidin-5-ylphenyl)ethenyl]-4-(trifluoromethoxy)aniline

N-[1-(3-pyrimidin-5-ylphenyl)ethenyl]-4-(trifluoromethoxy)aniline (PubChem CID 130315276) has the molecular formula C19H14F3N3O and a molecular weight of 357.34 g/mol. Its IUPAC name is N-[1-(3-pyrimidin-5-ylphenyl)ethenyl]-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-[1-(3-pyrimidin-5-ylphenyl)ethenyl]-4-(trifluoromethoxy)aniline
PubChem CID130315276
Molecular FormulaC19H14F3N3O
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC NameN-[1-(3-pyrimidin-5-ylphenyl)ethenyl]-4-(trifluoromethoxy)aniline
SMILESC=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2cncnc2)c1
InChIInChI=1S/C19H14F3N3O/c1-13(25-17-5-7-18(8-6-17)26-19(20,21)22)14-3-2-4-15(9-14)16-10-23-12-24-11-16/h2-12,25H,1H2
InChIKeyDQJNDLWHGQXJCA-UHFFFAOYSA-N
XLogP5.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.34
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
CID 160971562
3-[3-pyrimidin-5-yl-5-[1-[4-(trifluoromethoxy)anilino]ethenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-1-amine
CID 134288407
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
3-phenyl-N-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]benzamide
CID 118677342
6-[(3R)-3,4-dihydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 154012609
2,6-bis(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 11669393
6-(butylamino)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118919388
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118919180
2,6-diphenyl-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 11531564
N-propan-2-yl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
CID 59982985
3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 133089266

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-pyrimidin-5-ylphenyl)ethenyl]-4-(trifluoromethoxy)aniline?
The IUPAC name of N-[1-(3-pyrimidin-5-ylphenyl)ethenyl]-4-(trifluoromethoxy)aniline (CID 130315276) is N-[1-(3-pyrimidin-5-ylphenyl)ethenyl]-4-(trifluoromethoxy)aniline.
What is the SMILES notation for N-[1-(3-pyrimidin-5-ylphenyl)ethenyl]-4-(trifluoromethoxy)aniline?
The canonical SMILES for N-[1-(3-pyrimidin-5-ylphenyl)ethenyl]-4-(trifluoromethoxy)aniline is C=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2cncnc2)c1.
What is the InChIKey of N-[1-(3-pyrimidin-5-ylphenyl)ethenyl]-4-(trifluoromethoxy)aniline?
The InChIKey is DQJNDLWHGQXJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O/c1-13(25-17-5-7-18(8-6-17)26-19(20,21)22)14-3-2-4-15(9-14)16-10-23-12-24-11-16/h2-12,25H,1H2.
What are the key properties of N-[1-(3-pyrimidin-5-ylphenyl)ethenyl]-4-(trifluoromethoxy)aniline?
N-[1-(3-pyrimidin-5-ylphenyl)ethenyl]-4-(trifluoromethoxy)aniline has a molecular weight of 357.34 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-pyrimidin-5-ylphenyl)ethenyl]-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 130315276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).