5-[1-ethoxy-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyrimidine

C21H20F3N3O2 — CID 118443865

IUPAC5-[1-ethoxy-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyrimidine
SMILESCCOC(CC)(c1cncnc1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C21H20F3N3O2/c1-3-20(28-4-2,17-12-25-14-26-13-17)19-10-7-16(11-27-19)15-5-8-18(9-6-15)29-21(22,23)24/h5-14H,3-4H2,1-2H3
InChIKeyNGHHVZIFNLZUEA-UHFFFAOYSA-N
MW403.40 g/mol
LogP5.13
Rot. Bonds7

About 5-[1-ethoxy-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyrimidine

5-[1-ethoxy-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyrimidine (PubChem CID 118443865) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is 5-[1-ethoxy-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyrimidine.

Molecular Properties

Compound Name5-[1-ethoxy-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyrimidine
PubChem CID118443865
Molecular FormulaC21H20F3N3O2
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC Name5-[1-ethoxy-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyrimidine
SMILESCCOC(CC)(c1cncnc1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C21H20F3N3O2/c1-3-20(28-4-2,17-12-25-14-26-13-17)19-10-7-16(11-27-19)15-5-8-18(9-6-15)29-21(22,23)24/h5-14H,3-4H2,1-2H3
InChIKeyNGHHVZIFNLZUEA-UHFFFAOYSA-N
XLogP5.13
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.40
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[cyclopropyl-methoxy-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrimidine
CID 118443825
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
5-[1-[5-[2-fluoro-4-(trifluoromethoxy)phenyl]-2-pyridinyl]-1-prop-2-ynoxyethyl]pyrimidine
CID 118443856
2-(2-methylbutan-2-yl)-5-(trifluoromethoxy)pyridine
CID 146439449
3-methyl-1-(tetrazol-1-yl)-2-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]butan-2-ol
CID 118443718
2-ethylsulfanyl-5-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 151802827
2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 118455092
2-(chloromethyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 154074447
1-[5-[2-fluoro-4-(trifluoromethoxy)phenyl]-2-pyridinyl]-1-pyrimidin-5-ylbut-2-yn-1-ol
CID 118431490
2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 158386173
1-[5-(4-methoxyphenyl)-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
CID 118443746
5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
CID 134628617

Frequently Asked Questions

What is the IUPAC name of 5-[1-ethoxy-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyrimidine?
The IUPAC name of 5-[1-ethoxy-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyrimidine (CID 118443865) is 5-[1-ethoxy-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyrimidine.
What is the SMILES notation for 5-[1-ethoxy-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyrimidine?
The canonical SMILES for 5-[1-ethoxy-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyrimidine is CCOC(CC)(c1cncnc1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of 5-[1-ethoxy-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyrimidine?
The InChIKey is NGHHVZIFNLZUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c1-3-20(28-4-2,17-12-25-14-26-13-17)19-10-7-16(11-27-19)15-5-8-18(9-6-15)29-21(22,23)24/h5-14H,3-4H2,1-2H3.
What are the key properties of 5-[1-ethoxy-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyrimidine?
5-[1-ethoxy-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyrimidine has a molecular weight of 403.40 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-ethoxy-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyrimidine is sourced from PubChem (CID 118443865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).