ethyl 2-[ethyl-(5-fluoropyrimidin-2-yl)amino]acetate

C10H14FN3O2 — CID 75469837

IUPACethyl 2-[ethyl-(5-fluoropyrimidin-2-yl)amino]acetate
SMILESCCOC(=O)CN(CC)c1ncc(F)cn1
InChIInChI=1S/C10H14FN3O2/c1-3-14(7-9(15)16-4-2)10-12-5-8(11)6-13-10/h5-6H,3-4,7H2,1-2H3
InChIKeyCMFWSOJLJKJWFP-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.01
Rot. Bonds5

About ethyl 2-[ethyl-(5-fluoropyrimidin-2-yl)amino]acetate

ethyl 2-[ethyl-(5-fluoropyrimidin-2-yl)amino]acetate (PubChem CID 75469837) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is ethyl 2-[ethyl-(5-fluoropyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-(5-fluoropyrimidin-2-yl)amino]acetate
PubChem CID75469837
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Nameethyl 2-[ethyl-(5-fluoropyrimidin-2-yl)amino]acetate
SMILESCCOC(=O)CN(CC)c1ncc(F)cn1
InChIInChI=1S/C10H14FN3O2/c1-3-14(7-9(15)16-4-2)10-12-5-8(11)6-13-10/h5-6H,3-4,7H2,1-2H3
InChIKeyCMFWSOJLJKJWFP-UHFFFAOYSA-N
XLogP1.01
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-(5-fluoropyrimidin-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl-(5-fluoropyrimidin-2-yl)amino]acetate (CID 75469837) is ethyl 2-[ethyl-(5-fluoropyrimidin-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-(5-fluoropyrimidin-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-(5-fluoropyrimidin-2-yl)amino]acetate is CCOC(=O)CN(CC)c1ncc(F)cn1.
What is the InChIKey of ethyl 2-[ethyl-(5-fluoropyrimidin-2-yl)amino]acetate?
The InChIKey is CMFWSOJLJKJWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c1-3-14(7-9(15)16-4-2)10-12-5-8(11)6-13-10/h5-6H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-[ethyl-(5-fluoropyrimidin-2-yl)amino]acetate?
ethyl 2-[ethyl-(5-fluoropyrimidin-2-yl)amino]acetate has a molecular weight of 227.24 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-(5-fluoropyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 75469837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).