4-ethoxy-2-fluoro-5,6-dimethylpyrimidine

C8H11FN2O — CID 172576506

IUPAC4-ethoxy-2-fluoro-5,6-dimethylpyrimidine
SMILESCCOc1nc(F)nc(C)c1C
InChIInChI=1S/C8H11FN2O/c1-4-12-7-5(2)6(3)10-8(9)11-7/h4H2,1-3H3
InChIKeyVDLJDYYDDAIBIF-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.63
Rot. Bonds2

About 4-ethoxy-2-fluoro-5,6-dimethylpyrimidine

4-ethoxy-2-fluoro-5,6-dimethylpyrimidine (PubChem CID 172576506) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 4-ethoxy-2-fluoro-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-ethoxy-2-fluoro-5,6-dimethylpyrimidine
PubChem CID172576506
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name4-ethoxy-2-fluoro-5,6-dimethylpyrimidine
SMILESCCOc1nc(F)nc(C)c1C
InChIInChI=1S/C8H11FN2O/c1-4-12-7-5(2)6(3)10-8(9)11-7/h4H2,1-3H3
InChIKeyVDLJDYYDDAIBIF-UHFFFAOYSA-N
XLogP1.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-fluoro-5,6-dimethylpyrimidine?
The IUPAC name of 4-ethoxy-2-fluoro-5,6-dimethylpyrimidine (CID 172576506) is 4-ethoxy-2-fluoro-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-ethoxy-2-fluoro-5,6-dimethylpyrimidine?
The canonical SMILES for 4-ethoxy-2-fluoro-5,6-dimethylpyrimidine is CCOc1nc(F)nc(C)c1C.
What is the InChIKey of 4-ethoxy-2-fluoro-5,6-dimethylpyrimidine?
The InChIKey is VDLJDYYDDAIBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-4-12-7-5(2)6(3)10-8(9)11-7/h4H2,1-3H3.
What are the key properties of 4-ethoxy-2-fluoro-5,6-dimethylpyrimidine?
4-ethoxy-2-fluoro-5,6-dimethylpyrimidine has a molecular weight of 170.19 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-fluoro-5,6-dimethylpyrimidine is sourced from PubChem (CID 172576506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).