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

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Related Compounds

3,5-dihydropteridine-4,6-dione
CID 135755313
4-methyl-5H-pteridin-6-one
CID 595562
7H-purine-2,6-diamine;1H-pyrimidine-2,4-dione
CID 174663660
1-(2-amino-7H-purin-6-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509263
4-amino-2-[(2-amino-7H-purin-6-yl)sulfanyl]-1H-pyrimidin-6-one
CID 136981709
8-phenylmethoxy-1H-pyrido[2,3-b]pyrazin-2-one
CID 68606557
2-amino-1,7-dihydropurin-6-one;copper;dihydrate
CID 139263394
2-amino-4-(1-hydroxypropyl)-8H-pteridin-7-one
CID 69458072
1-(2-amino-7H-purin-6-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505942
4-amino-1-(2-amino-7H-purin-6-yl)pyrrolidin-2-one
CID 168700963
4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione
CID 114785546
potassium 2-oxo-1,7-dihydropurin-6-olate
CID 170844848

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).