[2-(acetyloxymethyl)-3-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-2-fluoropropyl] acetate

C15H21FN2O6 — CID 56658402

IUPAC[2-(acetyloxymethyl)-3-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-2-fluoropropyl] acetate
SMILESCOc1nc(CC(F)(COC(C)=O)COC(C)=O)c(C)c(OC)n1
InChIInChI=1S/C15H21FN2O6/c1-9-12(17-14(22-5)18-13(9)21-4)6-15(16,7-23-10(2)19)8-24-11(3)20/h6-8H2,1-5H3
InChIKeyDPZWMQFDLCIQSJ-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.18
Rot. Bonds8

About [2-(acetyloxymethyl)-3-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-2-fluoropropyl] acetate

[2-(acetyloxymethyl)-3-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-2-fluoropropyl] acetate (PubChem CID 56658402) has the molecular formula C15H21FN2O6 and a molecular weight of 344.34 g/mol. Its IUPAC name is [2-(acetyloxymethyl)-3-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-2-fluoropropyl] acetate.

Molecular Properties

Compound Name[2-(acetyloxymethyl)-3-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-2-fluoropropyl] acetate
PubChem CID56658402
Molecular FormulaC15H21FN2O6
Molecular Weight344.34 g/mol
Exact Mass344.14
IUPAC Name[2-(acetyloxymethyl)-3-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-2-fluoropropyl] acetate
SMILESCOc1nc(CC(F)(COC(C)=O)COC(C)=O)c(C)c(OC)n1
InChIInChI=1S/C15H21FN2O6/c1-9-12(17-14(22-5)18-13(9)21-4)6-15(16,7-23-10(2)19)8-24-11(3)20/h6-8H2,1-5H3
InChIKeyDPZWMQFDLCIQSJ-UHFFFAOYSA-N
XLogP1.18
TPSA96.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(acetyloxymethyl)-3-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-2-fluoropropyl] acetate?
The IUPAC name of [2-(acetyloxymethyl)-3-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-2-fluoropropyl] acetate (CID 56658402) is [2-(acetyloxymethyl)-3-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-2-fluoropropyl] acetate.
What is the SMILES notation for [2-(acetyloxymethyl)-3-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-2-fluoropropyl] acetate?
The canonical SMILES for [2-(acetyloxymethyl)-3-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-2-fluoropropyl] acetate is COc1nc(CC(F)(COC(C)=O)COC(C)=O)c(C)c(OC)n1.
What is the InChIKey of [2-(acetyloxymethyl)-3-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-2-fluoropropyl] acetate?
The InChIKey is DPZWMQFDLCIQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O6/c1-9-12(17-14(22-5)18-13(9)21-4)6-15(16,7-23-10(2)19)8-24-11(3)20/h6-8H2,1-5H3.
What are the key properties of [2-(acetyloxymethyl)-3-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-2-fluoropropyl] acetate?
[2-(acetyloxymethyl)-3-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-2-fluoropropyl] acetate has a molecular weight of 344.34 g/mol, XLogP of 1.18, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(acetyloxymethyl)-3-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-2-fluoropropyl] acetate is sourced from PubChem (CID 56658402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).