2-(4,6-dimethoxypyrimidin-2-yl)-1-fluoro-2-hydroxycyclopentane-1-carboxylic acid

C12H15FN2O5 — CID 19783085

IUPAC2-(4,6-dimethoxypyrimidin-2-yl)-1-fluoro-2-hydroxycyclopentane-1-carboxylic acid
SMILESCOc1cc(OC)nc(C2(O)CCCC2(F)C(=O)O)n1
InChIInChI=1S/C12H15FN2O5/c1-19-7-6-8(20-2)15-9(14-7)12(18)5-3-4-11(12,13)10(16)17/h6,18H,3-5H2,1-2H3,(H,16,17)
InChIKeyRYNSFQKZBGEGRH-UHFFFAOYSA-N
MW286.26 g/mol
LogP0.66
Rot. Bonds4

About 2-(4,6-dimethoxypyrimidin-2-yl)-1-fluoro-2-hydroxycyclopentane-1-carboxylic acid

2-(4,6-dimethoxypyrimidin-2-yl)-1-fluoro-2-hydroxycyclopentane-1-carboxylic acid (PubChem CID 19783085) has the molecular formula C12H15FN2O5 and a molecular weight of 286.26 g/mol. Its IUPAC name is 2-(4,6-dimethoxypyrimidin-2-yl)-1-fluoro-2-hydroxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4,6-dimethoxypyrimidin-2-yl)-1-fluoro-2-hydroxycyclopentane-1-carboxylic acid
PubChem CID19783085
Molecular FormulaC12H15FN2O5
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name2-(4,6-dimethoxypyrimidin-2-yl)-1-fluoro-2-hydroxycyclopentane-1-carboxylic acid
SMILESCOc1cc(OC)nc(C2(O)CCCC2(F)C(=O)O)n1
InChIInChI=1S/C12H15FN2O5/c1-19-7-6-8(20-2)15-9(14-7)12(18)5-3-4-11(12,13)10(16)17/h6,18H,3-5H2,1-2H3,(H,16,17)
InChIKeyRYNSFQKZBGEGRH-UHFFFAOYSA-N
XLogP0.66
TPSA101.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)-1-fluoro-2-hydroxycyclopentane-1-carboxylic acid?
The IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)-1-fluoro-2-hydroxycyclopentane-1-carboxylic acid (CID 19783085) is 2-(4,6-dimethoxypyrimidin-2-yl)-1-fluoro-2-hydroxycyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(4,6-dimethoxypyrimidin-2-yl)-1-fluoro-2-hydroxycyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(4,6-dimethoxypyrimidin-2-yl)-1-fluoro-2-hydroxycyclopentane-1-carboxylic acid is COc1cc(OC)nc(C2(O)CCCC2(F)C(=O)O)n1.
What is the InChIKey of 2-(4,6-dimethoxypyrimidin-2-yl)-1-fluoro-2-hydroxycyclopentane-1-carboxylic acid?
The InChIKey is RYNSFQKZBGEGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O5/c1-19-7-6-8(20-2)15-9(14-7)12(18)5-3-4-11(12,13)10(16)17/h6,18H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 2-(4,6-dimethoxypyrimidin-2-yl)-1-fluoro-2-hydroxycyclopentane-1-carboxylic acid?
2-(4,6-dimethoxypyrimidin-2-yl)-1-fluoro-2-hydroxycyclopentane-1-carboxylic acid has a molecular weight of 286.26 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethoxypyrimidin-2-yl)-1-fluoro-2-hydroxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 19783085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).