2-(2-chloropyrimidin-4-yl)oxy-N,N-dimethylacetamide

C8H10ClN3O2 — CID 165113375

IUPAC2-(2-chloropyrimidin-4-yl)oxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccnc(Cl)n1
InChIInChI=1S/C8H10ClN3O2/c1-12(2)7(13)5-14-6-3-4-10-8(9)11-6/h3-4H,5H2,1-2H3
InChIKeyOBIRJJUXQLRBLZ-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.60
Rot. Bonds3

About 2-(2-chloropyrimidin-4-yl)oxy-N,N-dimethylacetamide

2-(2-chloropyrimidin-4-yl)oxy-N,N-dimethylacetamide (PubChem CID 165113375) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-(2-chloropyrimidin-4-yl)oxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-chloropyrimidin-4-yl)oxy-N,N-dimethylacetamide
PubChem CID165113375
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name2-(2-chloropyrimidin-4-yl)oxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccnc(Cl)n1
InChIInChI=1S/C8H10ClN3O2/c1-12(2)7(13)5-14-6-3-4-10-8(9)11-6/h3-4H,5H2,1-2H3
InChIKeyOBIRJJUXQLRBLZ-UHFFFAOYSA-N
XLogP0.60
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropyrimidin-4-yl)oxy-N,N-dimethylacetamide?
The IUPAC name of 2-(2-chloropyrimidin-4-yl)oxy-N,N-dimethylacetamide (CID 165113375) is 2-(2-chloropyrimidin-4-yl)oxy-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-chloropyrimidin-4-yl)oxy-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-chloropyrimidin-4-yl)oxy-N,N-dimethylacetamide is CN(C)C(=O)COc1ccnc(Cl)n1.
What is the InChIKey of 2-(2-chloropyrimidin-4-yl)oxy-N,N-dimethylacetamide?
The InChIKey is OBIRJJUXQLRBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c1-12(2)7(13)5-14-6-3-4-10-8(9)11-6/h3-4H,5H2,1-2H3.
What are the key properties of 2-(2-chloropyrimidin-4-yl)oxy-N,N-dimethylacetamide?
2-(2-chloropyrimidin-4-yl)oxy-N,N-dimethylacetamide has a molecular weight of 215.64 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropyrimidin-4-yl)oxy-N,N-dimethylacetamide is sourced from PubChem (CID 165113375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).