2-(5-fluoropyrimidin-4-yl)oxy-N,N-dimethylethanamine

C8H12FN3O — CID 5151109

IUPAC2-(5-fluoropyrimidin-4-yl)oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1ncncc1F
InChIInChI=1S/C8H12FN3O/c1-12(2)3-4-13-8-7(9)5-10-6-11-8/h5-6H,3-4H2,1-2H3
InChIKeyGEYIXKGVZCGKMI-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.56
Rot. Bonds4

About 2-(5-fluoropyrimidin-4-yl)oxy-N,N-dimethylethanamine

2-(5-fluoropyrimidin-4-yl)oxy-N,N-dimethylethanamine (PubChem CID 5151109) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-4-yl)oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-4-yl)oxy-N,N-dimethylethanamine
PubChem CID5151109
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name2-(5-fluoropyrimidin-4-yl)oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1ncncc1F
InChIInChI=1S/C8H12FN3O/c1-12(2)3-4-13-8-7(9)5-10-6-11-8/h5-6H,3-4H2,1-2H3
InChIKeyGEYIXKGVZCGKMI-UHFFFAOYSA-N
XLogP0.56
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-4-yl)oxy-N,N-dimethylethanamine?
The IUPAC name of 2-(5-fluoropyrimidin-4-yl)oxy-N,N-dimethylethanamine (CID 5151109) is 2-(5-fluoropyrimidin-4-yl)oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5-fluoropyrimidin-4-yl)oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-(5-fluoropyrimidin-4-yl)oxy-N,N-dimethylethanamine is CN(C)CCOc1ncncc1F.
What is the InChIKey of 2-(5-fluoropyrimidin-4-yl)oxy-N,N-dimethylethanamine?
The InChIKey is GEYIXKGVZCGKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-12(2)3-4-13-8-7(9)5-10-6-11-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(5-fluoropyrimidin-4-yl)oxy-N,N-dimethylethanamine?
2-(5-fluoropyrimidin-4-yl)oxy-N,N-dimethylethanamine has a molecular weight of 185.20 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropyrimidin-4-yl)oxy-N,N-dimethylethanamine is sourced from PubChem (CID 5151109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).