2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid

C6H6FN3O3 — CID 135442353

IUPAC2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid
SMILESO=C(O)CNc1nc(F)cc(=O)[nH]1
InChIInChI=1S/C6H6FN3O3/c7-3-1-4(11)10-6(9-3)8-2-5(12)13/h1H,2H2,(H,12,13)(H2,8,9,10,11)
InChIKeyPWYANJBISBTCBW-UHFFFAOYSA-N
MW187.13 g/mol
LogP-0.59
Rot. Bonds3

About 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid

2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid (PubChem CID 135442353) has the molecular formula C6H6FN3O3 and a molecular weight of 187.13 g/mol. Its IUPAC name is 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid
PubChem CID135442353
Molecular FormulaC6H6FN3O3
Molecular Weight187.13 g/mol
Exact Mass187.04
IUPAC Name2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid
SMILESO=C(O)CNc1nc(F)cc(=O)[nH]1
InChIInChI=1S/C6H6FN3O3/c7-3-1-4(11)10-6(9-3)8-2-5(12)13/h1H,2H2,(H,12,13)(H2,8,9,10,11)
InChIKeyPWYANJBISBTCBW-UHFFFAOYSA-N
XLogP-0.59
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.13
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid?
The IUPAC name of 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid (CID 135442353) is 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid is O=C(O)CNc1nc(F)cc(=O)[nH]1.
What is the InChIKey of 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid?
The InChIKey is PWYANJBISBTCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN3O3/c7-3-1-4(11)10-6(9-3)8-2-5(12)13/h1H,2H2,(H,12,13)(H2,8,9,10,11).
What are the key properties of 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid?
2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid has a molecular weight of 187.13 g/mol, XLogP of -0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid is sourced from PubChem (CID 135442353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).