[1-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate

C13H19FN2O4 — CID 11701946

IUPAC[1-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate
SMILESCOc1nc(CC(C)(CF)OC(C)=O)c(C)c(OC)n1
InChIInChI=1S/C13H19FN2O4/c1-8-10(6-13(3,7-14)20-9(2)17)15-12(19-5)16-11(8)18-4/h6-7H2,1-5H3
InChIKeyQRIULOGKPSJNAI-UHFFFAOYSA-N
MW286.30 g/mol
LogP1.64
Rot. Bonds6

About [1-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate

[1-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate (PubChem CID 11701946) has the molecular formula C13H19FN2O4 and a molecular weight of 286.30 g/mol. Its IUPAC name is [1-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate.

Molecular Properties

Compound Name[1-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate
PubChem CID11701946
Molecular FormulaC13H19FN2O4
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name[1-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate
SMILESCOc1nc(CC(C)(CF)OC(C)=O)c(C)c(OC)n1
InChIInChI=1S/C13H19FN2O4/c1-8-10(6-13(3,7-14)20-9(2)17)15-12(19-5)16-11(8)18-4/h6-7H2,1-5H3
InChIKeyQRIULOGKPSJNAI-UHFFFAOYSA-N
XLogP1.64
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate?
The IUPAC name of [1-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate (CID 11701946) is [1-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate.
What is the SMILES notation for [1-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate?
The canonical SMILES for [1-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate is COc1nc(CC(C)(CF)OC(C)=O)c(C)c(OC)n1.
What is the InChIKey of [1-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate?
The InChIKey is QRIULOGKPSJNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O4/c1-8-10(6-13(3,7-14)20-9(2)17)15-12(19-5)16-11(8)18-4/h6-7H2,1-5H3.
What are the key properties of [1-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate?
[1-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate has a molecular weight of 286.30 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate is sourced from PubChem (CID 11701946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).