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

C6H7N3O3 — CID 136958444

IUPAC2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C6H7N3O3/c10-5-1-4(8-3-9-5)7-2-6(11)12/h1,3H,2H2,(H,11,12)(H2,7,8,9,10)
InChIKeyOORKVAHCFRXHMQ-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.73
Rot. Bonds3

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

2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136958444) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136958444
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C6H7N3O3/c10-5-1-4(8-3-9-5)7-2-6(11)12/h1,3H,2H2,(H,11,12)(H2,7,8,9,10)
InChIKeyOORKVAHCFRXHMQ-UHFFFAOYSA-N
XLogP-0.73
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-(4-fluoro-6-oxo-1,6-dihydropyrimidin-2-yl)glycine
CID 135442353
6-((2-Hydroxyethyl)amino)pyrimidin-4(1H)-one
CID 136271513
2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetate
CID 135442352
2-[(6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959229
2-[(6-oxo-1H-pyrimidin-2-yl)amino]acetic acid
CID 119095132
2-[2-(dimethylamino)ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734036
methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136955988
2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958334
2-[[2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetyl]amino]acetic acid
CID 136958420
2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958425
2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958432
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958447

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 136958444) is 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is O=C(O)CNc1cc(=O)[nH]cn1.
What is the InChIKey of 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is OORKVAHCFRXHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c10-5-1-4(8-3-9-5)7-2-6(11)12/h1,3H,2H2,(H,11,12)(H2,7,8,9,10).
What are the key properties of 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 169.14 g/mol, XLogP of -0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136958444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).