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

C17H14FN3O2 — CID 127042382

IUPAC4-[(3-fluorophenoxy)methyl]-6-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cc(COc2cccc(F)c2)nc(-c2ccccn2)n1
InChIInChI=1S/C17H14FN3O2/c1-22-16-10-13(11-23-14-6-4-5-12(18)9-14)20-17(21-16)15-7-2-3-8-19-15/h2-10H,11H2,1H3
InChIKeyJUMBEUPPYQIQQC-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.27
Rot. Bonds5

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

4-[(3-fluorophenoxy)methyl]-6-methoxy-2-pyridin-2-ylpyrimidine (PubChem CID 127042382) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 4-[(3-fluorophenoxy)methyl]-6-methoxy-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-[(3-fluorophenoxy)methyl]-6-methoxy-2-pyridin-2-ylpyrimidine
PubChem CID127042382
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name4-[(3-fluorophenoxy)methyl]-6-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cc(COc2cccc(F)c2)nc(-c2ccccn2)n1
InChIInChI=1S/C17H14FN3O2/c1-22-16-10-13(11-23-14-6-4-5-12(18)9-14)20-17(21-16)15-7-2-3-8-19-15/h2-10H,11H2,1H3
InChIKeyJUMBEUPPYQIQQC-UHFFFAOYSA-N
XLogP3.27
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenoxy)methyl]-6-methoxy-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-[(3-fluorophenoxy)methyl]-6-methoxy-2-pyridin-2-ylpyrimidine (CID 127042382) is 4-[(3-fluorophenoxy)methyl]-6-methoxy-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-[(3-fluorophenoxy)methyl]-6-methoxy-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-[(3-fluorophenoxy)methyl]-6-methoxy-2-pyridin-2-ylpyrimidine is COc1cc(COc2cccc(F)c2)nc(-c2ccccn2)n1.
What is the InChIKey of 4-[(3-fluorophenoxy)methyl]-6-methoxy-2-pyridin-2-ylpyrimidine?
The InChIKey is JUMBEUPPYQIQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-22-16-10-13(11-23-14-6-4-5-12(18)9-14)20-17(21-16)15-7-2-3-8-19-15/h2-10H,11H2,1H3.
What are the key properties of 4-[(3-fluorophenoxy)methyl]-6-methoxy-2-pyridin-2-ylpyrimidine?
4-[(3-fluorophenoxy)methyl]-6-methoxy-2-pyridin-2-ylpyrimidine has a molecular weight of 311.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenoxy)methyl]-6-methoxy-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 127042382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).