methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxyacetate

C8H9FN2O3 — CID 20602959

IUPACmethyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxyacetate
SMILESCOC(=O)COc1ncnc(C)c1F
InChIInChI=1S/C8H9FN2O3/c1-5-7(9)8(11-4-10-5)14-3-6(12)13-2/h4H,3H2,1-2H3
InChIKeyMWJAVJBHFVXFSS-UHFFFAOYSA-N
MW200.17 g/mol
LogP0.48
Rot. Bonds3

About methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxyacetate

methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxyacetate (PubChem CID 20602959) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxyacetate.

Molecular Properties

Compound Namemethyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxyacetate
PubChem CID20602959
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Namemethyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxyacetate
SMILESCOC(=O)COc1ncnc(C)c1F
InChIInChI=1S/C8H9FN2O3/c1-5-7(9)8(11-4-10-5)14-3-6(12)13-2/h4H,3H2,1-2H3
InChIKeyMWJAVJBHFVXFSS-UHFFFAOYSA-N
XLogP0.48
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-Bromo-4-methoxy-6-methyl-pyrimidin-2-yloxy)-acetic acid ethyl ester
CID 645131
Methyl 2-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)oxyacetate
CID 664203
Ethyl 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoate
CID 18700281
5-Fluoro-4-methoxy-6-methylpyrimidine
CID 20602957
Methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxypropanoate
CID 20602960
2-Methyl-2-((6-(trifluoromethyl)pyrimidin-4-yl)oxy)propanoic acid
CID 22270642
4-But-2-ynoxy-5-fluoro-6-methylpyrimidine
CID 59141917
2-{[6-(Trifluoromethyl)pyrimidin-4-yl]oxy}acetic acid
CID 94077245
2-(5-Fluoro-6-methylpyrimidin-4-yl)oxyethanamine
CID 108152368
4-Ethoxy-5-fluoro-6-methylpyrimidine
CID 143208920
4-ethoxy-5-fluoro-N,N,6-trimethylpyrimidin-2-amine
CID 143883705
4-(2,2-Difluoropropoxy)-5-fluoro-6-methylpyrimidine
CID 144745062

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxyacetate?
The IUPAC name of methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxyacetate (CID 20602959) is methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxyacetate.
What is the SMILES notation for methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxyacetate?
The canonical SMILES for methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxyacetate is COC(=O)COc1ncnc(C)c1F.
What is the InChIKey of methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxyacetate?
The InChIKey is MWJAVJBHFVXFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3/c1-5-7(9)8(11-4-10-5)14-3-6(12)13-2/h4H,3H2,1-2H3.
What are the key properties of methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxyacetate?
methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxyacetate has a molecular weight of 200.17 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxyacetate is sourced from PubChem (CID 20602959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).