methyl 2-(5-fluoro-4-methyl-6-oxo-2-propylpyrimidin-1-yl)acetate

C11H15FN2O3 — CID 145024723

IUPACmethyl 2-(5-fluoro-4-methyl-6-oxo-2-propylpyrimidin-1-yl)acetate
SMILESCCCc1nc(C)c(F)c(=O)n1CC(=O)OC
InChIInChI=1S/C11H15FN2O3/c1-4-5-8-13-7(2)10(12)11(16)14(8)6-9(15)17-3/h4-6H2,1-3H3
InChIKeyCGXXQRQXRZHAGT-UHFFFAOYSA-N
MW242.25 g/mol
LogP0.82
Rot. Bonds4

About methyl 2-(5-fluoro-4-methyl-6-oxo-2-propylpyrimidin-1-yl)acetate

methyl 2-(5-fluoro-4-methyl-6-oxo-2-propylpyrimidin-1-yl)acetate (PubChem CID 145024723) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is methyl 2-(5-fluoro-4-methyl-6-oxo-2-propylpyrimidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-fluoro-4-methyl-6-oxo-2-propylpyrimidin-1-yl)acetate
PubChem CID145024723
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Namemethyl 2-(5-fluoro-4-methyl-6-oxo-2-propylpyrimidin-1-yl)acetate
SMILESCCCc1nc(C)c(F)c(=O)n1CC(=O)OC
InChIInChI=1S/C11H15FN2O3/c1-4-5-8-13-7(2)10(12)11(16)14(8)6-9(15)17-3/h4-6H2,1-3H3
InChIKeyCGXXQRQXRZHAGT-UHFFFAOYSA-N
XLogP0.82
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-fluoro-4-methyl-6-oxo-2-propylpyrimidin-1-yl)acetate?
The IUPAC name of methyl 2-(5-fluoro-4-methyl-6-oxo-2-propylpyrimidin-1-yl)acetate (CID 145024723) is methyl 2-(5-fluoro-4-methyl-6-oxo-2-propylpyrimidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(5-fluoro-4-methyl-6-oxo-2-propylpyrimidin-1-yl)acetate?
The canonical SMILES for methyl 2-(5-fluoro-4-methyl-6-oxo-2-propylpyrimidin-1-yl)acetate is CCCc1nc(C)c(F)c(=O)n1CC(=O)OC.
What is the InChIKey of methyl 2-(5-fluoro-4-methyl-6-oxo-2-propylpyrimidin-1-yl)acetate?
The InChIKey is CGXXQRQXRZHAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-4-5-8-13-7(2)10(12)11(16)14(8)6-9(15)17-3/h4-6H2,1-3H3.
What are the key properties of methyl 2-(5-fluoro-4-methyl-6-oxo-2-propylpyrimidin-1-yl)acetate?
methyl 2-(5-fluoro-4-methyl-6-oxo-2-propylpyrimidin-1-yl)acetate has a molecular weight of 242.25 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-fluoro-4-methyl-6-oxo-2-propylpyrimidin-1-yl)acetate is sourced from PubChem (CID 145024723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).