2-[(2,6-difluoropyrimidin-4-yl)amino]acetate

C6H4F2N3O2- — CID 4610584

IUPAC2-[(2,6-difluoropyrimidin-4-yl)amino]acetate
SMILESO=C([O-])CNc1cc(F)nc(F)n1
InChIInChI=1S/C6H5F2N3O2/c7-3-1-4(9-2-5(12)13)11-6(8)10-3/h1H,2H2,(H,12,13)(H,9,10,11)/p-1
InChIKeyLLMMBHLJZPPNJY-UHFFFAOYSA-M
MW188.11 g/mol
LogP-1.08
Rot. Bonds3

About 2-[(2,6-difluoropyrimidin-4-yl)amino]acetate

2-[(2,6-difluoropyrimidin-4-yl)amino]acetate (PubChem CID 4610584) has the molecular formula C6H4F2N3O2- and a molecular weight of 188.11 g/mol. Its IUPAC name is 2-[(2,6-difluoropyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Name2-[(2,6-difluoropyrimidin-4-yl)amino]acetate
PubChem CID4610584
Molecular FormulaC6H4F2N3O2-
Molecular Weight188.11 g/mol
Exact Mass188.03
IUPAC Name2-[(2,6-difluoropyrimidin-4-yl)amino]acetate
SMILESO=C([O-])CNc1cc(F)nc(F)n1
InChIInChI=1S/C6H5F2N3O2/c7-3-1-4(9-2-5(12)13)11-6(8)10-3/h1H,2H2,(H,12,13)(H,9,10,11)/p-1
InChIKeyLLMMBHLJZPPNJY-UHFFFAOYSA-M
XLogP-1.08
TPSA77.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,6-difluoropyrimidin-4-yl)amino]acetic acid
CID 589042
2,6-difluoro-N-prop-2-enylpyrimidin-4-amine
CID 164647775
3-[(2,6-difluoropyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 164647732
hafnium(4+);tetrakis(2-(pyridin-2-ylamino)acetate)
CID 175185919
2,6-difluoropyrimidine-4-carboxylic acid;hydrochloride
CID 70594117
methyl 2-[(6-fluoro-2-pyridinyl)amino]acetate
CID 54594897
sodium 2-(2,6-dichloroanilino)acetate
CID 23676612
2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetate
CID 7446930
2-(4-fluorophenyl)sulfanylacetate
CID 4115535
2-(1,2-thiazol-3-yl)acetate
CID 22119909
sodium 2-(2-carboxy-5-chloroanilino)acetate
CID 66684909
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136955912

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluoropyrimidin-4-yl)amino]acetate?
The IUPAC name of 2-[(2,6-difluoropyrimidin-4-yl)amino]acetate (CID 4610584) is 2-[(2,6-difluoropyrimidin-4-yl)amino]acetate.
What is the SMILES notation for 2-[(2,6-difluoropyrimidin-4-yl)amino]acetate?
The canonical SMILES for 2-[(2,6-difluoropyrimidin-4-yl)amino]acetate is O=C([O-])CNc1cc(F)nc(F)n1.
What is the InChIKey of 2-[(2,6-difluoropyrimidin-4-yl)amino]acetate?
The InChIKey is LLMMBHLJZPPNJY-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5F2N3O2/c7-3-1-4(9-2-5(12)13)11-6(8)10-3/h1H,2H2,(H,12,13)(H,9,10,11)/p-1.
What are the key properties of 2-[(2,6-difluoropyrimidin-4-yl)amino]acetate?
2-[(2,6-difluoropyrimidin-4-yl)amino]acetate has a molecular weight of 188.11 g/mol, XLogP of -1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluoropyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 4610584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).