1-(5-fluoropyrimidin-2-yl)-2-methoxyethanol

C7H9FN2O2 — CID 68846580

IUPAC1-(5-fluoropyrimidin-2-yl)-2-methoxyethanol
SMILESCOCC(O)c1ncc(F)cn1
InChIInChI=1S/C7H9FN2O2/c1-12-4-6(11)7-9-2-5(8)3-10-7/h2-3,6,11H,4H2,1H3
InChIKeyBRCROLGDBLSJOA-UHFFFAOYSA-N
MW172.16 g/mol
LogP0.30
Rot. Bonds3

About 1-(5-fluoropyrimidin-2-yl)-2-methoxyethanol

1-(5-fluoropyrimidin-2-yl)-2-methoxyethanol (PubChem CID 68846580) has the molecular formula C7H9FN2O2 and a molecular weight of 172.16 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-2-methoxyethanol.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-2-methoxyethanol
PubChem CID68846580
Molecular FormulaC7H9FN2O2
Molecular Weight172.16 g/mol
Exact Mass172.06
IUPAC Name1-(5-fluoropyrimidin-2-yl)-2-methoxyethanol
SMILESCOCC(O)c1ncc(F)cn1
InChIInChI=1S/C7H9FN2O2/c1-12-4-6(11)7-9-2-5(8)3-10-7/h2-3,6,11H,4H2,1H3
InChIKeyBRCROLGDBLSJOA-UHFFFAOYSA-N
XLogP0.30
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)-2-methoxyethanol?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-2-methoxyethanol (CID 68846580) is 1-(5-fluoropyrimidin-2-yl)-2-methoxyethanol.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-2-methoxyethanol?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-2-methoxyethanol is COCC(O)c1ncc(F)cn1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-2-methoxyethanol?
The InChIKey is BRCROLGDBLSJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2/c1-12-4-6(11)7-9-2-5(8)3-10-7/h2-3,6,11H,4H2,1H3.
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-2-methoxyethanol?
1-(5-fluoropyrimidin-2-yl)-2-methoxyethanol has a molecular weight of 172.16 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)-2-methoxyethanol is sourced from PubChem (CID 68846580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).