ethyl 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetate

C8H9ClFN3O2 — CID 79081073

IUPACethyl 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(Cl)ncc1F
InChIInChI=1S/C8H9ClFN3O2/c1-2-15-6(14)4-11-7-5(10)3-12-8(9)13-7/h3H,2,4H2,1H3,(H,11,12,13)
InChIKeyCLWFRJZJZQNBCP-UHFFFAOYSA-N
MW233.63 g/mol
LogP1.24
Rot. Bonds4

About ethyl 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetate

ethyl 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetate (PubChem CID 79081073) has the molecular formula C8H9ClFN3O2 and a molecular weight of 233.63 g/mol. Its IUPAC name is ethyl 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetate
PubChem CID79081073
Molecular FormulaC8H9ClFN3O2
Molecular Weight233.63 g/mol
Exact Mass233.04
IUPAC Nameethyl 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(Cl)ncc1F
InChIInChI=1S/C8H9ClFN3O2/c1-2-15-6(14)4-11-7-5(10)3-12-8(9)13-7/h3H,2,4H2,1H3,(H,11,12,13)
InChIKeyCLWFRJZJZQNBCP-UHFFFAOYSA-N
XLogP1.24
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.63
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetate (CID 79081073) is ethyl 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetate is CCOC(=O)CNc1nc(Cl)ncc1F.
What is the InChIKey of ethyl 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetate?
The InChIKey is CLWFRJZJZQNBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN3O2/c1-2-15-6(14)4-11-7-5(10)3-12-8(9)13-7/h3H,2,4H2,1H3,(H,11,12,13).
What are the key properties of ethyl 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetate?
ethyl 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetate has a molecular weight of 233.63 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 79081073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).