4-(2-fluoroethoxy)-2,6-dimethoxypyrimidine

C8H11FN2O3 — CID 45117367

IUPAC4-(2-fluoroethoxy)-2,6-dimethoxypyrimidine
SMILESCOc1cc(OCCF)nc(OC)n1
InChIInChI=1S/C8H11FN2O3/c1-12-6-5-7(14-4-3-9)11-8(10-6)13-2/h5H,3-4H2,1-2H3
InChIKeyRETKYQCMYOUPFR-UHFFFAOYSA-N
MW202.19 g/mol
LogP0.84
Rot. Bonds5

About 4-(2-fluoroethoxy)-2,6-dimethoxypyrimidine

4-(2-fluoroethoxy)-2,6-dimethoxypyrimidine (PubChem CID 45117367) has the molecular formula C8H11FN2O3 and a molecular weight of 202.19 g/mol. Its IUPAC name is 4-(2-fluoroethoxy)-2,6-dimethoxypyrimidine.

Molecular Properties

Compound Name4-(2-fluoroethoxy)-2,6-dimethoxypyrimidine
PubChem CID45117367
Molecular FormulaC8H11FN2O3
Molecular Weight202.19 g/mol
Exact Mass202.08
IUPAC Name4-(2-fluoroethoxy)-2,6-dimethoxypyrimidine
SMILESCOc1cc(OCCF)nc(OC)n1
InChIInChI=1S/C8H11FN2O3/c1-12-6-5-7(14-4-3-9)11-8(10-6)13-2/h5H,3-4H2,1-2H3
InChIKeyRETKYQCMYOUPFR-UHFFFAOYSA-N
XLogP0.84
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethoxy)-2,6-dimethoxypyrimidine?
The IUPAC name of 4-(2-fluoroethoxy)-2,6-dimethoxypyrimidine (CID 45117367) is 4-(2-fluoroethoxy)-2,6-dimethoxypyrimidine.
What is the SMILES notation for 4-(2-fluoroethoxy)-2,6-dimethoxypyrimidine?
The canonical SMILES for 4-(2-fluoroethoxy)-2,6-dimethoxypyrimidine is COc1cc(OCCF)nc(OC)n1.
What is the InChIKey of 4-(2-fluoroethoxy)-2,6-dimethoxypyrimidine?
The InChIKey is RETKYQCMYOUPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O3/c1-12-6-5-7(14-4-3-9)11-8(10-6)13-2/h5H,3-4H2,1-2H3.
What are the key properties of 4-(2-fluoroethoxy)-2,6-dimethoxypyrimidine?
4-(2-fluoroethoxy)-2,6-dimethoxypyrimidine has a molecular weight of 202.19 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethoxy)-2,6-dimethoxypyrimidine is sourced from PubChem (CID 45117367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).