methyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoro-3-methylbutanoate

C12H17FN2O4 — CID 22420766

IUPACmethyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoro-3-methylbutanoate
SMILESCOC(=O)C(F)(c1nc(OC)cc(OC)n1)C(C)C
InChIInChI=1S/C12H17FN2O4/c1-7(2)12(13,11(16)19-5)10-14-8(17-3)6-9(15-10)18-4/h6-7H,1-5H3
InChIKeyYOLPRDCHWPJNRC-UHFFFAOYSA-N
MW272.28 g/mol
LogP1.49
Rot. Bonds5

About methyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoro-3-methylbutanoate

methyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoro-3-methylbutanoate (PubChem CID 22420766) has the molecular formula C12H17FN2O4 and a molecular weight of 272.28 g/mol. Its IUPAC name is methyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoro-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoro-3-methylbutanoate
PubChem CID22420766
Molecular FormulaC12H17FN2O4
Molecular Weight272.28 g/mol
Exact Mass272.12
IUPAC Namemethyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoro-3-methylbutanoate
SMILESCOC(=O)C(F)(c1nc(OC)cc(OC)n1)C(C)C
InChIInChI=1S/C12H17FN2O4/c1-7(2)12(13,11(16)19-5)10-14-8(17-3)6-9(15-10)18-4/h6-7H,1-5H3
InChIKeyYOLPRDCHWPJNRC-UHFFFAOYSA-N
XLogP1.49
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoro-3-methylbutanoate?
The IUPAC name of methyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoro-3-methylbutanoate (CID 22420766) is methyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoro-3-methylbutanoate.
What is the SMILES notation for methyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoro-3-methylbutanoate?
The canonical SMILES for methyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoro-3-methylbutanoate is COC(=O)C(F)(c1nc(OC)cc(OC)n1)C(C)C.
What is the InChIKey of methyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoro-3-methylbutanoate?
The InChIKey is YOLPRDCHWPJNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4/c1-7(2)12(13,11(16)19-5)10-14-8(17-3)6-9(15-10)18-4/h6-7H,1-5H3.
What are the key properties of methyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoro-3-methylbutanoate?
methyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoro-3-methylbutanoate has a molecular weight of 272.28 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoro-3-methylbutanoate is sourced from PubChem (CID 22420766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).