5-(2-hydroxyethyl)-1H-pyrimidin-2-one;hydrochloride

C6H9ClN2O2 — CID 119031457

IUPAC5-(2-hydroxyethyl)-1H-pyrimidin-2-one;hydrochloride
SMILESCl.O=c1ncc(CCO)c[nH]1
InChIInChI=1S/C6H8N2O2.ClH/c9-2-1-5-3-7-6(10)8-4-5;/h3-4,9H,1-2H2,(H,7,8,10);1H
InChIKeyMUDSAEFSZNOIKT-UHFFFAOYSA-N
MW176.60 g/mol
LogP-0.27
Rot. Bonds2

About 5-(2-hydroxyethyl)-1H-pyrimidin-2-one;hydrochloride

5-(2-hydroxyethyl)-1H-pyrimidin-2-one;hydrochloride (PubChem CID 119031457) has the molecular formula C6H9ClN2O2 and a molecular weight of 176.60 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-1H-pyrimidin-2-one;hydrochloride.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-1H-pyrimidin-2-one;hydrochloride
PubChem CID119031457
Molecular FormulaC6H9ClN2O2
Molecular Weight176.60 g/mol
Exact Mass176.04
IUPAC Name5-(2-hydroxyethyl)-1H-pyrimidin-2-one;hydrochloride
SMILESCl.O=c1ncc(CCO)c[nH]1
InChIInChI=1S/C6H8N2O2.ClH/c9-2-1-5-3-7-6(10)8-4-5;/h3-4,9H,1-2H2,(H,7,8,10);1H
InChIKeyMUDSAEFSZNOIKT-UHFFFAOYSA-N
XLogP-0.27
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.60
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-1H-pyrimidin-2-one;hydrochloride?
The IUPAC name of 5-(2-hydroxyethyl)-1H-pyrimidin-2-one;hydrochloride (CID 119031457) is 5-(2-hydroxyethyl)-1H-pyrimidin-2-one;hydrochloride.
What is the SMILES notation for 5-(2-hydroxyethyl)-1H-pyrimidin-2-one;hydrochloride?
The canonical SMILES for 5-(2-hydroxyethyl)-1H-pyrimidin-2-one;hydrochloride is Cl.O=c1ncc(CCO)c[nH]1.
What is the InChIKey of 5-(2-hydroxyethyl)-1H-pyrimidin-2-one;hydrochloride?
The InChIKey is MUDSAEFSZNOIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.ClH/c9-2-1-5-3-7-6(10)8-4-5;/h3-4,9H,1-2H2,(H,7,8,10);1H.
What are the key properties of 5-(2-hydroxyethyl)-1H-pyrimidin-2-one;hydrochloride?
5-(2-hydroxyethyl)-1H-pyrimidin-2-one;hydrochloride has a molecular weight of 176.60 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-1H-pyrimidin-2-one;hydrochloride is sourced from PubChem (CID 119031457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).