3-ethoxy-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-4H-pyrimidine

C20H24FN5O — CID 54272613

IUPAC3-ethoxy-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-4H-pyrimidine
SMILESCCON1C=NC=CC1c1c(-c2ccc(F)cc2)ncn1C1CCNCC1
InChIInChI=1S/C20H24FN5O/c1-2-27-26-13-23-12-9-18(26)20-19(15-3-5-16(21)6-4-15)24-14-25(20)17-7-10-22-11-8-17/h3-6,9,12-14,17-18,22H,2,7-8,10-11H2,1H3
InChIKeyRLFGLWPSNWYIJD-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.46
Rot. Bonds5

About 3-ethoxy-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-4H-pyrimidine

3-ethoxy-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-4H-pyrimidine (PubChem CID 54272613) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is 3-ethoxy-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-4H-pyrimidine.

Molecular Properties

Compound Name3-ethoxy-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-4H-pyrimidine
PubChem CID54272613
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name3-ethoxy-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-4H-pyrimidine
SMILESCCON1C=NC=CC1c1c(-c2ccc(F)cc2)ncn1C1CCNCC1
InChIInChI=1S/C20H24FN5O/c1-2-27-26-13-23-12-9-18(26)20-19(15-3-5-16(21)6-4-15)24-14-25(20)17-7-10-22-11-8-17/h3-6,9,12-14,17-18,22H,2,7-8,10-11H2,1H3
InChIKeyRLFGLWPSNWYIJD-UHFFFAOYSA-N
XLogP3.46
TPSA54.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-4H-pyrimidine?
The IUPAC name of 3-ethoxy-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-4H-pyrimidine (CID 54272613) is 3-ethoxy-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-4H-pyrimidine.
What is the SMILES notation for 3-ethoxy-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-4H-pyrimidine?
The canonical SMILES for 3-ethoxy-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-4H-pyrimidine is CCON1C=NC=CC1c1c(-c2ccc(F)cc2)ncn1C1CCNCC1.
What is the InChIKey of 3-ethoxy-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-4H-pyrimidine?
The InChIKey is RLFGLWPSNWYIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-2-27-26-13-23-12-9-18(26)20-19(15-3-5-16(21)6-4-15)24-14-25(20)17-7-10-22-11-8-17/h3-6,9,12-14,17-18,22H,2,7-8,10-11H2,1H3.
What are the key properties of 3-ethoxy-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-4H-pyrimidine?
3-ethoxy-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-4H-pyrimidine has a molecular weight of 369.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-4H-pyrimidine is sourced from PubChem (CID 54272613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).