2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)pyrimidine

C18H18F3N3O — CID 133277047

IUPAC2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESCCOc1ccccc1C1=CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C18H18F3N3O/c1-2-25-15-6-4-3-5-14(15)13-8-11-24(12-9-13)17-22-10-7-16(23-17)18(19,20)21/h3-8,10H,2,9,11-12H2,1H3
InChIKeyJIIUTUZIVQLRPA-UHFFFAOYSA-N
MW349.36 g/mol
LogP4.19
Rot. Bonds4

About 2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)pyrimidine

2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)pyrimidine (PubChem CID 133277047) has the molecular formula C18H18F3N3O and a molecular weight of 349.36 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)pyrimidine
PubChem CID133277047
Molecular FormulaC18H18F3N3O
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESCCOc1ccccc1C1=CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C18H18F3N3O/c1-2-25-15-6-4-3-5-14(15)13-8-11-24(12-9-13)17-22-10-7-16(23-17)18(19,20)21/h3-8,10H,2,9,11-12H2,1H3
InChIKeyJIIUTUZIVQLRPA-UHFFFAOYSA-N
XLogP4.19
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)pyrimidine (CID 133277047) is 2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)pyrimidine is CCOc1ccccc1C1=CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)pyrimidine?
The InChIKey is JIIUTUZIVQLRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O/c1-2-25-15-6-4-3-5-14(15)13-8-11-24(12-9-13)17-22-10-7-16(23-17)18(19,20)21/h3-8,10H,2,9,11-12H2,1H3.
What are the key properties of 2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)pyrimidine?
2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)pyrimidine has a molecular weight of 349.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 133277047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).