4-fluoro-6-octan-2-yloxypyrimidine

C12H19FN2O — CID 115416039

IUPAC4-fluoro-6-octan-2-yloxypyrimidine
SMILESCCCCCCC(C)Oc1cc(F)ncn1
InChIInChI=1S/C12H19FN2O/c1-3-4-5-6-7-10(2)16-12-8-11(13)14-9-15-12/h8-10H,3-7H2,1-2H3
InChIKeyVWSBQOZVSFQQFF-UHFFFAOYSA-N
MW226.29 g/mol
LogP3.35
Rot. Bonds7

About 4-fluoro-6-octan-2-yloxypyrimidine

4-fluoro-6-octan-2-yloxypyrimidine (PubChem CID 115416039) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 4-fluoro-6-octan-2-yloxypyrimidine.

Molecular Properties

Compound Name4-fluoro-6-octan-2-yloxypyrimidine
PubChem CID115416039
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name4-fluoro-6-octan-2-yloxypyrimidine
SMILESCCCCCCC(C)Oc1cc(F)ncn1
InChIInChI=1S/C12H19FN2O/c1-3-4-5-6-7-10(2)16-12-8-11(13)14-9-15-12/h8-10H,3-7H2,1-2H3
InChIKeyVWSBQOZVSFQQFF-UHFFFAOYSA-N
XLogP3.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-octan-2-yloxypyrimidine?
The IUPAC name of 4-fluoro-6-octan-2-yloxypyrimidine (CID 115416039) is 4-fluoro-6-octan-2-yloxypyrimidine.
What is the SMILES notation for 4-fluoro-6-octan-2-yloxypyrimidine?
The canonical SMILES for 4-fluoro-6-octan-2-yloxypyrimidine is CCCCCCC(C)Oc1cc(F)ncn1.
What is the InChIKey of 4-fluoro-6-octan-2-yloxypyrimidine?
The InChIKey is VWSBQOZVSFQQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-3-4-5-6-7-10(2)16-12-8-11(13)14-9-15-12/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-fluoro-6-octan-2-yloxypyrimidine?
4-fluoro-6-octan-2-yloxypyrimidine has a molecular weight of 226.29 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-octan-2-yloxypyrimidine is sourced from PubChem (CID 115416039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).