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

C6H5FN3O3- — CID 135442352

IUPAC2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetate
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)/p-1
InChIKeyPWYANJBISBTCBW-UHFFFAOYSA-M
MW186.12 g/mol
LogP-1.93
Rot. Bonds3

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

2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetate (PubChem CID 135442352) has the molecular formula C6H5FN3O3- and a molecular weight of 186.12 g/mol. Its IUPAC name is 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Name2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetate
PubChem CID135442352
Molecular FormulaC6H5FN3O3-
Molecular Weight186.12 g/mol
Exact Mass186.03
IUPAC Name2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetate
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)/p-1
InChIKeyPWYANJBISBTCBW-UHFFFAOYSA-M
XLogP-1.93
TPSA97.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.12
LogP ≤ 5-1.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Fluoro-6-oxo-1,6-dihydro-pyrimidin-2-ylamino)-propionic acid
CID 135403532
N-(4-fluoro-6-oxo-1,6-dihydropyrimidin-2-yl)glycine
CID 135442353
3-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate
CID 135491955
2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate
CID 135533392
(2S)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate
CID 135674881
(2S)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135674882
(2R)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate
CID 135674883
(2R)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135674884
n-[6-Oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl]glycine
CID 136388269
2-[(6-oxo-1H-pyrimidin-2-yl)amino]acetic acid
CID 119095132
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate
CID 135772253
2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958444

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetate?
The IUPAC name of 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetate (CID 135442352) is 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetate.
What is the SMILES notation for 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetate?
The canonical SMILES for 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetate 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]acetate?
The InChIKey is PWYANJBISBTCBW-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetate?
2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetate has a molecular weight of 186.12 g/mol, XLogP of -1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 135442352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).