[2-(4,6-dimethoxypyrimidin-2-yl)oxy-1-fluorocyclohexyl]methanol

C13H19FN2O4 — CID 139621518

IUPAC[2-(4,6-dimethoxypyrimidin-2-yl)oxy-1-fluorocyclohexyl]methanol
SMILESCOc1cc(OC)nc(OC2CCCCC2(F)CO)n1
InChIInChI=1S/C13H19FN2O4/c1-18-10-7-11(19-2)16-12(15-10)20-9-5-3-4-6-13(9,14)8-17/h7,9,17H,3-6,8H2,1-2H3
InChIKeyVKFMZBIQQQQEED-UHFFFAOYSA-N
MW286.30 g/mol
LogP1.52
Rot. Bonds5

About [2-(4,6-dimethoxypyrimidin-2-yl)oxy-1-fluorocyclohexyl]methanol

[2-(4,6-dimethoxypyrimidin-2-yl)oxy-1-fluorocyclohexyl]methanol (PubChem CID 139621518) has the molecular formula C13H19FN2O4 and a molecular weight of 286.30 g/mol. Its IUPAC name is [2-(4,6-dimethoxypyrimidin-2-yl)oxy-1-fluorocyclohexyl]methanol.

Molecular Properties

Compound Name[2-(4,6-dimethoxypyrimidin-2-yl)oxy-1-fluorocyclohexyl]methanol
PubChem CID139621518
Molecular FormulaC13H19FN2O4
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name[2-(4,6-dimethoxypyrimidin-2-yl)oxy-1-fluorocyclohexyl]methanol
SMILESCOc1cc(OC)nc(OC2CCCCC2(F)CO)n1
InChIInChI=1S/C13H19FN2O4/c1-18-10-7-11(19-2)16-12(15-10)20-9-5-3-4-6-13(9,14)8-17/h7,9,17H,3-6,8H2,1-2H3
InChIKeyVKFMZBIQQQQEED-UHFFFAOYSA-N
XLogP1.52
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4,6-dimethoxypyrimidin-2-yl)oxy-1-fluorocyclohexyl]methanol?
The IUPAC name of [2-(4,6-dimethoxypyrimidin-2-yl)oxy-1-fluorocyclohexyl]methanol (CID 139621518) is [2-(4,6-dimethoxypyrimidin-2-yl)oxy-1-fluorocyclohexyl]methanol.
What is the SMILES notation for [2-(4,6-dimethoxypyrimidin-2-yl)oxy-1-fluorocyclohexyl]methanol?
The canonical SMILES for [2-(4,6-dimethoxypyrimidin-2-yl)oxy-1-fluorocyclohexyl]methanol is COc1cc(OC)nc(OC2CCCCC2(F)CO)n1.
What is the InChIKey of [2-(4,6-dimethoxypyrimidin-2-yl)oxy-1-fluorocyclohexyl]methanol?
The InChIKey is VKFMZBIQQQQEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O4/c1-18-10-7-11(19-2)16-12(15-10)20-9-5-3-4-6-13(9,14)8-17/h7,9,17H,3-6,8H2,1-2H3.
What are the key properties of [2-(4,6-dimethoxypyrimidin-2-yl)oxy-1-fluorocyclohexyl]methanol?
[2-(4,6-dimethoxypyrimidin-2-yl)oxy-1-fluorocyclohexyl]methanol has a molecular weight of 286.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,6-dimethoxypyrimidin-2-yl)oxy-1-fluorocyclohexyl]methanol is sourced from PubChem (CID 139621518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).