3-(2-fluoroethyl)-2-methoxy-6-methylpyrimidin-4-one

C8H11FN2O2 — CID 80695143

IUPAC3-(2-fluoroethyl)-2-methoxy-6-methylpyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCF
InChIInChI=1S/C8H11FN2O2/c1-6-5-7(12)11(4-3-9)8(10-6)13-2/h5H,3-4H2,1-2H3
InChIKeyXCSIXRDPBCLORU-UHFFFAOYSA-N
MW186.19 g/mol
LogP0.53
Rot. Bonds3

About 3-(2-fluoroethyl)-2-methoxy-6-methylpyrimidin-4-one

3-(2-fluoroethyl)-2-methoxy-6-methylpyrimidin-4-one (PubChem CID 80695143) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-2-methoxy-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-fluoroethyl)-2-methoxy-6-methylpyrimidin-4-one
PubChem CID80695143
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC Name3-(2-fluoroethyl)-2-methoxy-6-methylpyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCF
InChIInChI=1S/C8H11FN2O2/c1-6-5-7(12)11(4-3-9)8(10-6)13-2/h5H,3-4H2,1-2H3
InChIKeyXCSIXRDPBCLORU-UHFFFAOYSA-N
XLogP0.53
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-2-methoxy-6-methylpyrimidin-4-one?
The IUPAC name of 3-(2-fluoroethyl)-2-methoxy-6-methylpyrimidin-4-one (CID 80695143) is 3-(2-fluoroethyl)-2-methoxy-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-(2-fluoroethyl)-2-methoxy-6-methylpyrimidin-4-one?
The canonical SMILES for 3-(2-fluoroethyl)-2-methoxy-6-methylpyrimidin-4-one is COc1nc(C)cc(=O)n1CCF.
What is the InChIKey of 3-(2-fluoroethyl)-2-methoxy-6-methylpyrimidin-4-one?
The InChIKey is XCSIXRDPBCLORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2/c1-6-5-7(12)11(4-3-9)8(10-6)13-2/h5H,3-4H2,1-2H3.
What are the key properties of 3-(2-fluoroethyl)-2-methoxy-6-methylpyrimidin-4-one?
3-(2-fluoroethyl)-2-methoxy-6-methylpyrimidin-4-one has a molecular weight of 186.19 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-2-methoxy-6-methylpyrimidin-4-one is sourced from PubChem (CID 80695143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).