6-amino-5-hydroperoxy-1H-pyrimidin-2-one

C4H5N3O3 — CID 55289441

IUPAC6-amino-5-hydroperoxy-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1OO
InChIInChI=1S/C4H5N3O3/c5-3-2(10-9)1-6-4(8)7-3/h1,9H,(H3,5,6,7,8)
InChIKeyQKVYLSFJUQPILG-UHFFFAOYSA-N
MW143.10 g/mol
LogP-0.80
Rot. Bonds1

About 6-amino-5-hydroperoxy-1H-pyrimidin-2-one

6-amino-5-hydroperoxy-1H-pyrimidin-2-one (PubChem CID 55289441) has the molecular formula C4H5N3O3 and a molecular weight of 143.10 g/mol. Its IUPAC name is 6-amino-5-hydroperoxy-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-hydroperoxy-1H-pyrimidin-2-one
PubChem CID55289441
Molecular FormulaC4H5N3O3
Molecular Weight143.10 g/mol
Exact Mass143.03
IUPAC Name6-amino-5-hydroperoxy-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1OO
InChIInChI=1S/C4H5N3O3/c5-3-2(10-9)1-6-4(8)7-3/h1,9H,(H3,5,6,7,8)
InChIKeyQKVYLSFJUQPILG-UHFFFAOYSA-N
XLogP-0.80
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.10
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

6-Amino-5-hydroxy-2(1H)-pyrimidinone
CID 3014752
5-hydroxy-6-(methylamino)-1H-pyrimidin-2-one
CID 69009422
4-Amino-5-methoxy-1,2-dihydropyrimidin-2-one
CID 15422742
5-Fluoro-cytosine monohydrate
CID 129660715
6-Amino-1,5-dihydroxypyrimidin-2-one
CID 139880869
6-Amino-5-hydroxy-1-sulfanylpyrimidin-2-one
CID 141205075
5-fluoro-6-isocyanato-1H-pyrimidin-2-one;hydrate
CID 174459409
5-hydroxy-6-(hydroxyamino)-1H-pyrimidin-2-one
CID 177734723
6-amino-5-hydroxy-(213C,1,3-14N2)1H-pyrimidin-2-one
CID 10486867
(6-amino-2-oxo-1H-pyrimidin-5-yl) hydrogen sulfate
CID 13125503
5-Hydroxycytosine-13C,15N2
CID 131668106

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-hydroperoxy-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-hydroperoxy-1H-pyrimidin-2-one (CID 55289441) is 6-amino-5-hydroperoxy-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-hydroperoxy-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-hydroperoxy-1H-pyrimidin-2-one is Nc1[nH]c(=O)ncc1OO.
What is the InChIKey of 6-amino-5-hydroperoxy-1H-pyrimidin-2-one?
The InChIKey is QKVYLSFJUQPILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O3/c5-3-2(10-9)1-6-4(8)7-3/h1,9H,(H3,5,6,7,8).
What are the key properties of 6-amino-5-hydroperoxy-1H-pyrimidin-2-one?
6-amino-5-hydroperoxy-1H-pyrimidin-2-one has a molecular weight of 143.10 g/mol, XLogP of -0.80, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-hydroperoxy-1H-pyrimidin-2-one is sourced from PubChem (CID 55289441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).