1-hydroxypyrimidin-2-one;hydrochloride

C4H5ClN2O2 — CID 86720849

IUPAC1-hydroxypyrimidin-2-one;hydrochloride
SMILESCl.O=c1ncccn1O
InChIInChI=1S/C4H4N2O2.ClH/c7-4-5-2-1-3-6(4)8;/h1-3,8H;1H
InChIKeyZSXOKCXNKBPEFC-UHFFFAOYSA-N
MW148.55 g/mol
LogP-0.10
Rot. Bonds

About 1-hydroxypyrimidin-2-one;hydrochloride

1-hydroxypyrimidin-2-one;hydrochloride (PubChem CID 86720849) has the molecular formula C4H5ClN2O2 and a molecular weight of 148.55 g/mol. Its IUPAC name is 1-hydroxypyrimidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-hydroxypyrimidin-2-one;hydrochloride
PubChem CID86720849
Molecular FormulaC4H5ClN2O2
Molecular Weight148.55 g/mol
Exact Mass148.00
IUPAC Name1-hydroxypyrimidin-2-one;hydrochloride
SMILESCl.O=c1ncccn1O
InChIInChI=1S/C4H4N2O2.ClH/c7-4-5-2-1-3-6(4)8;/h1-3,8H;1H
InChIKeyZSXOKCXNKBPEFC-UHFFFAOYSA-N
XLogP-0.10
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.55
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyrimidin-2-one;hydrochloride?
The IUPAC name of 1-hydroxypyrimidin-2-one;hydrochloride (CID 86720849) is 1-hydroxypyrimidin-2-one;hydrochloride.
What is the SMILES notation for 1-hydroxypyrimidin-2-one;hydrochloride?
The canonical SMILES for 1-hydroxypyrimidin-2-one;hydrochloride is Cl.O=c1ncccn1O.
What is the InChIKey of 1-hydroxypyrimidin-2-one;hydrochloride?
The InChIKey is ZSXOKCXNKBPEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.ClH/c7-4-5-2-1-3-6(4)8;/h1-3,8H;1H.
What are the key properties of 1-hydroxypyrimidin-2-one;hydrochloride?
1-hydroxypyrimidin-2-one;hydrochloride has a molecular weight of 148.55 g/mol, XLogP of -0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrimidin-2-one;hydrochloride is sourced from PubChem (CID 86720849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).