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

C6H5F2N3O2 — CID 589042

IUPAC2-[(2,6-difluoropyrimidin-4-yl)amino]acetic acid
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)
InChIKeyLLMMBHLJZPPNJY-UHFFFAOYSA-N
MW189.12 g/mol
LogP0.25
Rot. Bonds3

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

2-[(2,6-difluoropyrimidin-4-yl)amino]acetic acid (PubChem CID 589042) has the molecular formula C6H5F2N3O2 and a molecular weight of 189.12 g/mol. Its IUPAC name is 2-[(2,6-difluoropyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,6-difluoropyrimidin-4-yl)amino]acetic acid
PubChem CID589042
Molecular FormulaC6H5F2N3O2
Molecular Weight189.12 g/mol
Exact Mass189.03
IUPAC Name2-[(2,6-difluoropyrimidin-4-yl)amino]acetic acid
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)
InChIKeyLLMMBHLJZPPNJY-UHFFFAOYSA-N
XLogP0.25
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.12
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,6-difluoropyrimidin-4-yl)amino]acetate
CID 4610584
2,6-difluoro-N-prop-2-enylpyrimidin-4-amine
CID 164647775
2,6-difluoropyrimidine-4-carboxylic acid;hydrochloride
CID 70594117
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 71628764
2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 51063993
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid
CID 66332295
2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride
CID 134263966
2-[(4-fluoro-1,3-benzothiazol-2-yl)amino]acetic acid
CID 82192868
2-[(5-fluoropyrimidin-2-yl)amino]acetic acid
CID 104605853
2-(carboxymethylamino)-4-fluorobenzoic acid
CID 19907325
2-[[1-(difluoromethyl)-5-methylpyrazol-3-yl]amino]acetic acid
CID 154882042
2-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]acetic acid
CID 139886551

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluoropyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(2,6-difluoropyrimidin-4-yl)amino]acetic acid (CID 589042) is 2-[(2,6-difluoropyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(2,6-difluoropyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(2,6-difluoropyrimidin-4-yl)amino]acetic acid is O=C(O)CNc1cc(F)nc(F)n1.
What is the InChIKey of 2-[(2,6-difluoropyrimidin-4-yl)amino]acetic acid?
The InChIKey is LLMMBHLJZPPNJY-UHFFFAOYSA-N. 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).
What are the key properties of 2-[(2,6-difluoropyrimidin-4-yl)amino]acetic acid?
2-[(2,6-difluoropyrimidin-4-yl)amino]acetic acid has a molecular weight of 189.12 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluoropyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 589042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).