[1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate

C12H17FN2O4 — CID 16732578

IUPAC[1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate
SMILESCOc1cc(CC(C)(CF)OC(C)=O)nc(OC)n1
InChIInChI=1S/C12H17FN2O4/c1-8(16)19-12(2,7-13)6-9-5-10(17-3)15-11(14-9)18-4/h5H,6-7H2,1-4H3
InChIKeyWYXOWORXMBBRII-UHFFFAOYSA-N
MW272.28 g/mol
LogP1.33
Rot. Bonds6

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

[1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate (PubChem CID 16732578) has the molecular formula C12H17FN2O4 and a molecular weight of 272.28 g/mol. Its IUPAC name is [1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate.

Molecular Properties

Compound Name[1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate
PubChem CID16732578
Molecular FormulaC12H17FN2O4
Molecular Weight272.28 g/mol
Exact Mass272.12
IUPAC Name[1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate
SMILESCOc1cc(CC(C)(CF)OC(C)=O)nc(OC)n1
InChIInChI=1S/C12H17FN2O4/c1-8(16)19-12(2,7-13)6-9-5-10(17-3)15-11(14-9)18-4/h5H,6-7H2,1-4H3
InChIKeyWYXOWORXMBBRII-UHFFFAOYSA-N
XLogP1.33
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate?
The IUPAC name of [1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate (CID 16732578) is [1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate.
What is the SMILES notation for [1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate?
The canonical SMILES for [1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate is COc1cc(CC(C)(CF)OC(C)=O)nc(OC)n1.
What is the InChIKey of [1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate?
The InChIKey is WYXOWORXMBBRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4/c1-8(16)19-12(2,7-13)6-9-5-10(17-3)15-11(14-9)18-4/h5H,6-7H2,1-4H3.
What are the key properties of [1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate?
[1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate has a molecular weight of 272.28 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate is sourced from PubChem (CID 16732578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).