4-ethoxy-6-[(3-fluorophenoxy)methyl]-2-pyridin-2-ylpyrimidine

C18H16FN3O2 — CID 127042383

IUPAC4-ethoxy-6-[(3-fluorophenoxy)methyl]-2-pyridin-2-ylpyrimidine
SMILESCCOc1cc(COc2cccc(F)c2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H16FN3O2/c1-2-23-17-11-14(12-24-15-7-5-6-13(19)10-15)21-18(22-17)16-8-3-4-9-20-16/h3-11H,2,12H2,1H3
InChIKeySXRKKTLXWQSLCI-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.66
Rot. Bonds6

About 4-ethoxy-6-[(3-fluorophenoxy)methyl]-2-pyridin-2-ylpyrimidine

4-ethoxy-6-[(3-fluorophenoxy)methyl]-2-pyridin-2-ylpyrimidine (PubChem CID 127042383) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 4-ethoxy-6-[(3-fluorophenoxy)methyl]-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-ethoxy-6-[(3-fluorophenoxy)methyl]-2-pyridin-2-ylpyrimidine
PubChem CID127042383
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name4-ethoxy-6-[(3-fluorophenoxy)methyl]-2-pyridin-2-ylpyrimidine
SMILESCCOc1cc(COc2cccc(F)c2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H16FN3O2/c1-2-23-17-11-14(12-24-15-7-5-6-13(19)10-15)21-18(22-17)16-8-3-4-9-20-16/h3-11H,2,12H2,1H3
InChIKeySXRKKTLXWQSLCI-UHFFFAOYSA-N
XLogP3.66
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-[(3-fluorophenoxy)methyl]-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-ethoxy-6-[(3-fluorophenoxy)methyl]-2-pyridin-2-ylpyrimidine (CID 127042383) is 4-ethoxy-6-[(3-fluorophenoxy)methyl]-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-ethoxy-6-[(3-fluorophenoxy)methyl]-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-ethoxy-6-[(3-fluorophenoxy)methyl]-2-pyridin-2-ylpyrimidine is CCOc1cc(COc2cccc(F)c2)nc(-c2ccccn2)n1.
What is the InChIKey of 4-ethoxy-6-[(3-fluorophenoxy)methyl]-2-pyridin-2-ylpyrimidine?
The InChIKey is SXRKKTLXWQSLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-2-23-17-11-14(12-24-15-7-5-6-13(19)10-15)21-18(22-17)16-8-3-4-9-20-16/h3-11H,2,12H2,1H3.
What are the key properties of 4-ethoxy-6-[(3-fluorophenoxy)methyl]-2-pyridin-2-ylpyrimidine?
4-ethoxy-6-[(3-fluorophenoxy)methyl]-2-pyridin-2-ylpyrimidine has a molecular weight of 325.34 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-[(3-fluorophenoxy)methyl]-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 127042383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).