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

C9H11FN2O3 — CID 20602960

IUPACmethyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxypropanoate
SMILESCOC(=O)C(C)Oc1ncnc(C)c1F
InChIInChI=1S/C9H11FN2O3/c1-5-7(10)8(12-4-11-5)15-6(2)9(13)14-3/h4,6H,1-3H3
InChIKeyVIOBQCDGOLPAFW-UHFFFAOYSA-N
MW214.20 g/mol
LogP0.86
Rot. Bonds3

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

methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxypropanoate (PubChem CID 20602960) has the molecular formula C9H11FN2O3 and a molecular weight of 214.20 g/mol. Its IUPAC name is methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxypropanoate.

Molecular Properties

Compound Namemethyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxypropanoate
PubChem CID20602960
Molecular FormulaC9H11FN2O3
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Namemethyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxypropanoate
SMILESCOC(=O)C(C)Oc1ncnc(C)c1F
InChIInChI=1S/C9H11FN2O3/c1-5-7(10)8(12-4-11-5)15-6(2)9(13)14-3/h4,6H,1-3H3
InChIKeyVIOBQCDGOLPAFW-UHFFFAOYSA-N
XLogP0.86
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-(5-bromo-6-methoxy-4-methylpyrimidin-2-yloxy)propanoate
CID 3143103
Ethyl 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoate
CID 18700281
2-[5-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid
CID 18700283
Methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxyacetate
CID 20602959
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
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
Ethyl 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetate
CID 156739083
2-((6-Methylpyrimidin-4-yl)oxy)acetic acid
CID 82413452

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxypropanoate?
The IUPAC name of methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxypropanoate (CID 20602960) is methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxypropanoate.
What is the SMILES notation for methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxypropanoate?
The canonical SMILES for methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxypropanoate is COC(=O)C(C)Oc1ncnc(C)c1F.
What is the InChIKey of methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxypropanoate?
The InChIKey is VIOBQCDGOLPAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3/c1-5-7(10)8(12-4-11-5)15-6(2)9(13)14-3/h4,6H,1-3H3.
What are the key properties of methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxypropanoate?
methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxypropanoate has a molecular weight of 214.20 g/mol, XLogP of 0.86, 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)oxypropanoate is sourced from PubChem (CID 20602960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).