2-(4,6-difluoropyrimidin-2-yl)oxy-N,N-dimethylethanamine

C8H11F2N3O — CID 118936893

IUPAC2-(4,6-difluoropyrimidin-2-yl)oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1nc(F)cc(F)n1
InChIInChI=1S/C8H11F2N3O/c1-13(2)3-4-14-8-11-6(9)5-7(10)12-8/h5H,3-4H2,1-2H3
InChIKeyNFTUSOXNNNJSRB-UHFFFAOYSA-N
MW203.19 g/mol
LogP0.70
Rot. Bonds4

About 2-(4,6-difluoropyrimidin-2-yl)oxy-N,N-dimethylethanamine

2-(4,6-difluoropyrimidin-2-yl)oxy-N,N-dimethylethanamine (PubChem CID 118936893) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-(4,6-difluoropyrimidin-2-yl)oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4,6-difluoropyrimidin-2-yl)oxy-N,N-dimethylethanamine
PubChem CID118936893
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name2-(4,6-difluoropyrimidin-2-yl)oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1nc(F)cc(F)n1
InChIInChI=1S/C8H11F2N3O/c1-13(2)3-4-14-8-11-6(9)5-7(10)12-8/h5H,3-4H2,1-2H3
InChIKeyNFTUSOXNNNJSRB-UHFFFAOYSA-N
XLogP0.70
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4,6-difluoropyrimidin-2-yl)oxy-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-difluoropyrimidin-2-yl)oxy-N,N-dimethylethanamine?
The IUPAC name of 2-(4,6-difluoropyrimidin-2-yl)oxy-N,N-dimethylethanamine (CID 118936893) is 2-(4,6-difluoropyrimidin-2-yl)oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4,6-difluoropyrimidin-2-yl)oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-(4,6-difluoropyrimidin-2-yl)oxy-N,N-dimethylethanamine is CN(C)CCOc1nc(F)cc(F)n1.
What is the InChIKey of 2-(4,6-difluoropyrimidin-2-yl)oxy-N,N-dimethylethanamine?
The InChIKey is NFTUSOXNNNJSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-13(2)3-4-14-8-11-6(9)5-7(10)12-8/h5H,3-4H2,1-2H3.
What are the key properties of 2-(4,6-difluoropyrimidin-2-yl)oxy-N,N-dimethylethanamine?
2-(4,6-difluoropyrimidin-2-yl)oxy-N,N-dimethylethanamine has a molecular weight of 203.19 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-difluoropyrimidin-2-yl)oxy-N,N-dimethylethanamine is sourced from PubChem (CID 118936893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).