2-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethoxy]acetamide

C10H15FN4O2 — CID 106239215

IUPAC2-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethoxy]acetamide
SMILESCCc1ncnc(NCCOCC(N)=O)c1F
InChIInChI=1S/C10H15FN4O2/c1-2-7-9(11)10(15-6-14-7)13-3-4-17-5-8(12)16/h6H,2-5H2,1H3,(H2,12,16)(H,13,14,15)
InChIKeyPQXXDPJEBZTISM-UHFFFAOYSA-N
MW242.25 g/mol
LogP0.09
Rot. Bonds7

About 2-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethoxy]acetamide

2-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethoxy]acetamide (PubChem CID 106239215) has the molecular formula C10H15FN4O2 and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethoxy]acetamide
PubChem CID106239215
Molecular FormulaC10H15FN4O2
Molecular Weight242.25 g/mol
Exact Mass242.12
IUPAC Name2-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethoxy]acetamide
SMILESCCc1ncnc(NCCOCC(N)=O)c1F
InChIInChI=1S/C10H15FN4O2/c1-2-7-9(11)10(15-6-14-7)13-3-4-17-5-8(12)16/h6H,2-5H2,1H3,(H2,12,16)(H,13,14,15)
InChIKeyPQXXDPJEBZTISM-UHFFFAOYSA-N
XLogP0.09
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethoxy]acetamide (CID 106239215) is 2-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethoxy]acetamide is CCc1ncnc(NCCOCC(N)=O)c1F.
What is the InChIKey of 2-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethoxy]acetamide?
The InChIKey is PQXXDPJEBZTISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O2/c1-2-7-9(11)10(15-6-14-7)13-3-4-17-5-8(12)16/h6H,2-5H2,1H3,(H2,12,16)(H,13,14,15).
What are the key properties of 2-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethoxy]acetamide?
2-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethoxy]acetamide has a molecular weight of 242.25 g/mol, XLogP of 0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 106239215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).