4-[2-(4-fluorophenyl)ethoxy]-6-pyrrolidin-1-ylpyrimidine

C16H18FN3O — CID 166629336

IUPAC4-[2-(4-fluorophenyl)ethoxy]-6-pyrrolidin-1-ylpyrimidine
SMILESFc1ccc(CCOc2cc(N3CCCC3)ncn2)cc1
InChIInChI=1S/C16H18FN3O/c17-14-5-3-13(4-6-14)7-10-21-16-11-15(18-12-19-16)20-8-1-2-9-20/h3-6,11-12H,1-2,7-10H2
InChIKeyHOGKQLWRSYSEEE-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.84
Rot. Bonds5

About 4-[2-(4-fluorophenyl)ethoxy]-6-pyrrolidin-1-ylpyrimidine

4-[2-(4-fluorophenyl)ethoxy]-6-pyrrolidin-1-ylpyrimidine (PubChem CID 166629336) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethoxy]-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethoxy]-6-pyrrolidin-1-ylpyrimidine
PubChem CID166629336
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name4-[2-(4-fluorophenyl)ethoxy]-6-pyrrolidin-1-ylpyrimidine
SMILESFc1ccc(CCOc2cc(N3CCCC3)ncn2)cc1
InChIInChI=1S/C16H18FN3O/c17-14-5-3-13(4-6-14)7-10-21-16-11-15(18-12-19-16)20-8-1-2-9-20/h3-6,11-12H,1-2,7-10H2
InChIKeyHOGKQLWRSYSEEE-UHFFFAOYSA-N
XLogP2.84
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethoxy]-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-[2-(4-fluorophenyl)ethoxy]-6-pyrrolidin-1-ylpyrimidine (CID 166629336) is 4-[2-(4-fluorophenyl)ethoxy]-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethoxy]-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethoxy]-6-pyrrolidin-1-ylpyrimidine is Fc1ccc(CCOc2cc(N3CCCC3)ncn2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethoxy]-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is HOGKQLWRSYSEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c17-14-5-3-13(4-6-14)7-10-21-16-11-15(18-12-19-16)20-8-1-2-9-20/h3-6,11-12H,1-2,7-10H2.
What are the key properties of 4-[2-(4-fluorophenyl)ethoxy]-6-pyrrolidin-1-ylpyrimidine?
4-[2-(4-fluorophenyl)ethoxy]-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 287.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethoxy]-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 166629336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).