6-oxo-1H-pyrimidine-2,4-diolate

C4H2N2O3-2 — CID 25203186

IUPAC6-oxo-1H-pyrimidine-2,4-diolate
SMILESO=c1cc([O-])nc([O-])[nH]1
InChIInChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H,(H3,5,6,7,8,9)/p-2
InChIKeyGWEJPUMJAQFCBN-UHFFFAOYSA-L
MW126.07 g/mol
LogP-2.08
Rot. Bonds

About 6-oxo-1H-pyrimidine-2,4-diolate

6-oxo-1H-pyrimidine-2,4-diolate (PubChem CID 25203186) has the molecular formula C4H2N2O3-2 and a molecular weight of 126.07 g/mol. Its IUPAC name is 6-oxo-1H-pyrimidine-2,4-diolate.

Molecular Properties

Compound Name6-oxo-1H-pyrimidine-2,4-diolate
PubChem CID25203186
Molecular FormulaC4H2N2O3-2
Molecular Weight126.07 g/mol
Exact Mass126.01
IUPAC Name6-oxo-1H-pyrimidine-2,4-diolate
SMILESO=c1cc([O-])nc([O-])[nH]1
InChIInChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H,(H3,5,6,7,8,9)/p-2
InChIKeyGWEJPUMJAQFCBN-UHFFFAOYSA-L
XLogP-2.08
TPSA91.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.07
LogP ≤ 5-2.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4(3H)-Pyrimidinone, 2-amino-6-hydroxy-
CID 66131
6-Amino-2-methoxy-3,4-dihydropyrimidin-4-one
CID 135404214
6-Amino-2-chloropyrimidin-4-OL
CID 135947952
Uracil-1-yl
CID 150747
Dihydroxy-fluor-pyrimidin
CID 129637215
6-Hydroxy-2-methoxypyrimidin-4(3H)-one
CID 13754312
6-amino-2-bromo-3H-pyrimidin-4-one
CID 136320667
Sodium 4,6-dihydroxypyrimidine-2-thiolate
CID 56926523
6-Hydroxy-2-selenoxo-2,3 dihydropyrimidin-4(1h)-one
CID 13223713
6-oxo-2-sulfido-1H-pyrimidin-4-olate;bis(thallium(1+))
CID 139046263
2,6-Difluoropyrimidin-4(3H)-one
CID 135409861
sodium 2-amino-6-oxo-1H-pyrimidin-4-olate
CID 101591491

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1H-pyrimidine-2,4-diolate?
The IUPAC name of 6-oxo-1H-pyrimidine-2,4-diolate (CID 25203186) is 6-oxo-1H-pyrimidine-2,4-diolate.
What is the SMILES notation for 6-oxo-1H-pyrimidine-2,4-diolate?
The canonical SMILES for 6-oxo-1H-pyrimidine-2,4-diolate is O=c1cc([O-])nc([O-])[nH]1.
What is the InChIKey of 6-oxo-1H-pyrimidine-2,4-diolate?
The InChIKey is GWEJPUMJAQFCBN-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H,(H3,5,6,7,8,9)/p-2.
What are the key properties of 6-oxo-1H-pyrimidine-2,4-diolate?
6-oxo-1H-pyrimidine-2,4-diolate has a molecular weight of 126.07 g/mol, XLogP of -2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1H-pyrimidine-2,4-diolate is sourced from PubChem (CID 25203186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).