2-[[6-(2,5-difluorophenyl)pyrimidin-4-yl]amino]acetic acid

C12H9F2N3O2 — CID 82486546

IUPAC2-[[6-(2,5-difluorophenyl)pyrimidin-4-yl]amino]acetic acid
SMILESO=C(O)CNc1cc(-c2cc(F)ccc2F)ncn1
InChIInChI=1S/C12H9F2N3O2/c13-7-1-2-9(14)8(3-7)10-4-11(17-6-16-10)15-5-12(18)19/h1-4,6H,5H2,(H,18,19)(H,15,16,17)
InChIKeyUUJMOBWALNWTPP-UHFFFAOYSA-N
MW265.22 g/mol
LogP1.92
Rot. Bonds4

About 2-[[6-(2,5-difluorophenyl)pyrimidin-4-yl]amino]acetic acid

2-[[6-(2,5-difluorophenyl)pyrimidin-4-yl]amino]acetic acid (PubChem CID 82486546) has the molecular formula C12H9F2N3O2 and a molecular weight of 265.22 g/mol. Its IUPAC name is 2-[[6-(2,5-difluorophenyl)pyrimidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-(2,5-difluorophenyl)pyrimidin-4-yl]amino]acetic acid
PubChem CID82486546
Molecular FormulaC12H9F2N3O2
Molecular Weight265.22 g/mol
Exact Mass265.07
IUPAC Name2-[[6-(2,5-difluorophenyl)pyrimidin-4-yl]amino]acetic acid
SMILESO=C(O)CNc1cc(-c2cc(F)ccc2F)ncn1
InChIInChI=1S/C12H9F2N3O2/c13-7-1-2-9(14)8(3-7)10-4-11(17-6-16-10)15-5-12(18)19/h1-4,6H,5H2,(H,18,19)(H,15,16,17)
InChIKeyUUJMOBWALNWTPP-UHFFFAOYSA-N
XLogP1.92
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]propanoic acid
CID 82484902
2-[[6-(5-chlorothiophen-2-yl)pyrimidin-4-yl]amino]acetic acid
CID 82488057
1-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]propan-2-one
CID 116972104
2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride
CID 134263966
2-[(6-ethylpyrimidin-4-yl)amino]acetic acid
CID 61236041
2-[4-(2,5-difluorophenyl)phenoxy]acetic acid
CID 82039119
2-[(6-cyclobutylpyrimidin-4-yl)amino]acetic acid
CID 126848131
4-(2,5-difluorophenyl)pyrimidine-2-carboxylic acid
CID 83919048
2-[(5-fluoropyrimidin-2-yl)amino]acetic acid
CID 104605853
3-(2,5-difluorophenyl)-1-phenylpyrazole-5-carboxylic acid
CID 82370998
2-[(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid
CID 66334030
2-[(7-fluoroquinolin-4-yl)amino]acetic acid
CID 83837512

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2,5-difluorophenyl)pyrimidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[[6-(2,5-difluorophenyl)pyrimidin-4-yl]amino]acetic acid (CID 82486546) is 2-[[6-(2,5-difluorophenyl)pyrimidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[[6-(2,5-difluorophenyl)pyrimidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[[6-(2,5-difluorophenyl)pyrimidin-4-yl]amino]acetic acid is O=C(O)CNc1cc(-c2cc(F)ccc2F)ncn1.
What is the InChIKey of 2-[[6-(2,5-difluorophenyl)pyrimidin-4-yl]amino]acetic acid?
The InChIKey is UUJMOBWALNWTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O2/c13-7-1-2-9(14)8(3-7)10-4-11(17-6-16-10)15-5-12(18)19/h1-4,6H,5H2,(H,18,19)(H,15,16,17).
What are the key properties of 2-[[6-(2,5-difluorophenyl)pyrimidin-4-yl]amino]acetic acid?
2-[[6-(2,5-difluorophenyl)pyrimidin-4-yl]amino]acetic acid has a molecular weight of 265.22 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2,5-difluorophenyl)pyrimidin-4-yl]amino]acetic acid is sourced from PubChem (CID 82486546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).