2-amino-6-oxo-5H-pteridin-4-olate

C6H4N5O2- — CID 51382669

IUPAC2-amino-6-oxo-5H-pteridin-4-olate
SMILESNc1nc([O-])c2[nH]c(=O)cnc2n1
InChIInChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H,(H,9,12)(H3,7,8,10,11,13)/p-1
InChIKeyVURKRJGMSKJIQX-UHFFFAOYSA-M
MW178.13 g/mol
LogP-1.63
Rot. Bonds

About 2-amino-6-oxo-5H-pteridin-4-olate

2-amino-6-oxo-5H-pteridin-4-olate (PubChem CID 51382669) has the molecular formula C6H4N5O2- and a molecular weight of 178.13 g/mol. Its IUPAC name is 2-amino-6-oxo-5H-pteridin-4-olate.

Molecular Properties

Compound Name2-amino-6-oxo-5H-pteridin-4-olate
PubChem CID51382669
Molecular FormulaC6H4N5O2-
Molecular Weight178.13 g/mol
Exact Mass178.04
IUPAC Name2-amino-6-oxo-5H-pteridin-4-olate
SMILESNc1nc([O-])c2[nH]c(=O)cnc2n1
InChIInChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H,(H,9,12)(H3,7,8,10,11,13)/p-1
InChIKeyVURKRJGMSKJIQX-UHFFFAOYSA-M
XLogP-1.63
TPSA120.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.13
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-6-oxo-5H-pteridin-4-olate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-oxo-5H-pteridin-4-olate?
The IUPAC name of 2-amino-6-oxo-5H-pteridin-4-olate (CID 51382669) is 2-amino-6-oxo-5H-pteridin-4-olate.
What is the SMILES notation for 2-amino-6-oxo-5H-pteridin-4-olate?
The canonical SMILES for 2-amino-6-oxo-5H-pteridin-4-olate is Nc1nc([O-])c2[nH]c(=O)cnc2n1.
What is the InChIKey of 2-amino-6-oxo-5H-pteridin-4-olate?
The InChIKey is VURKRJGMSKJIQX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H,(H,9,12)(H3,7,8,10,11,13)/p-1.
What are the key properties of 2-amino-6-oxo-5H-pteridin-4-olate?
2-amino-6-oxo-5H-pteridin-4-olate has a molecular weight of 178.13 g/mol, XLogP of -1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-oxo-5H-pteridin-4-olate is sourced from PubChem (CID 51382669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).