ethyl 2-[(2-chloropyrimidin-4-yl)amino]acetate

C8H10ClN3O2 — CID 62342073

IUPACethyl 2-[(2-chloropyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1ccnc(Cl)n1
InChIInChI=1S/C8H10ClN3O2/c1-2-14-7(13)5-11-6-3-4-10-8(9)12-6/h3-4H,2,5H2,1H3,(H,10,11,12)
InChIKeyXWLADXUCCDKODK-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.11
Rot. Bonds4

About ethyl 2-[(2-chloropyrimidin-4-yl)amino]acetate

ethyl 2-[(2-chloropyrimidin-4-yl)amino]acetate (PubChem CID 62342073) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is ethyl 2-[(2-chloropyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-chloropyrimidin-4-yl)amino]acetate
PubChem CID62342073
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Nameethyl 2-[(2-chloropyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1ccnc(Cl)n1
InChIInChI=1S/C8H10ClN3O2/c1-2-14-7(13)5-11-6-3-4-10-8(9)12-6/h3-4H,2,5H2,1H3,(H,10,11,12)
InChIKeyXWLADXUCCDKODK-UHFFFAOYSA-N
XLogP1.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2-chloropyrimidin-4-yl)sulfamoyl]acetate
CID 116798767
2-[(2-chloropyrimidin-4-yl)amino]-N-methylacetamide
CID 62341681
3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 103761458
2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
CID 115695339
ethyl 2-[(5,6-dibromo-2-pyridinyl)amino]acetate
CID 167740848
3-[(2-chloropyrimidin-4-yl)amino]-N,N-diethylpropanamide
CID 115695349
N-(2-chloropyrimidin-4-yl)-2-(propylamino)acetamide
CID 116795095
2-[(2-chloropyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 89350640
ethyl 2-(2-chloropyrimidin-4-yl)-2-methylpropanoate
CID 88573880
2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 62344056
ethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate
CID 55207180
1-N-(2-chloropyrimidin-4-yl)propane-1,2-diamine;propane
CID 145372300

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chloropyrimidin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[(2-chloropyrimidin-4-yl)amino]acetate (CID 62342073) is ethyl 2-[(2-chloropyrimidin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-chloropyrimidin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-chloropyrimidin-4-yl)amino]acetate is CCOC(=O)CNc1ccnc(Cl)n1.
What is the InChIKey of ethyl 2-[(2-chloropyrimidin-4-yl)amino]acetate?
The InChIKey is XWLADXUCCDKODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c1-2-14-7(13)5-11-6-3-4-10-8(9)12-6/h3-4H,2,5H2,1H3,(H,10,11,12).
What are the key properties of ethyl 2-[(2-chloropyrimidin-4-yl)amino]acetate?
ethyl 2-[(2-chloropyrimidin-4-yl)amino]acetate has a molecular weight of 215.64 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chloropyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 62342073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).