4-ethyl-6-[(2-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine

C12H12FN3O — CID 133472269

IUPAC4-ethyl-6-[(2-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine
SMILESCCc1cc(Oc2cccnc2F)nc(C)n1
InChIInChI=1S/C12H12FN3O/c1-3-9-7-11(16-8(2)15-9)17-10-5-4-6-14-12(10)13/h4-7H,3H2,1-2H3
InChIKeyDYLGAAPBQYBDOH-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.67
Rot. Bonds3

About 4-ethyl-6-[(2-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine

4-ethyl-6-[(2-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine (PubChem CID 133472269) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 4-ethyl-6-[(2-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine.

Molecular Properties

Compound Name4-ethyl-6-[(2-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine
PubChem CID133472269
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name4-ethyl-6-[(2-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine
SMILESCCc1cc(Oc2cccnc2F)nc(C)n1
InChIInChI=1S/C12H12FN3O/c1-3-9-7-11(16-8(2)15-9)17-10-5-4-6-14-12(10)13/h4-7H,3H2,1-2H3
InChIKeyDYLGAAPBQYBDOH-UHFFFAOYSA-N
XLogP2.67
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[(2-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine?
The IUPAC name of 4-ethyl-6-[(2-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine (CID 133472269) is 4-ethyl-6-[(2-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine.
What is the SMILES notation for 4-ethyl-6-[(2-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine?
The canonical SMILES for 4-ethyl-6-[(2-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine is CCc1cc(Oc2cccnc2F)nc(C)n1.
What is the InChIKey of 4-ethyl-6-[(2-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine?
The InChIKey is DYLGAAPBQYBDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-3-9-7-11(16-8(2)15-9)17-10-5-4-6-14-12(10)13/h4-7H,3H2,1-2H3.
What are the key properties of 4-ethyl-6-[(2-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine?
4-ethyl-6-[(2-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine has a molecular weight of 233.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[(2-fluoro-3-pyridinyl)oxy]-2-methylpyrimidine is sourced from PubChem (CID 133472269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).